Geometry & MOs

Info

ID:	297407
PubChem CID:	117616955
Reduced:	ClO2N8C30H37 (1)
Stoich.:	AB2C8D30E37 (1)
Weight, g/mol:	534.251002
ΔH_f, kcal/mol:	38.37
Dipole, Da:	11.69
IP(EA), eV:	-8.62(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CN(C[C@H](N1C2=NC3=CC(=NC(=C3N2CC4CCC(CC4)C)C5=CC(=CN=C5)Cl)C6=NC(=O)ON6)C)C(=C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CN(C[C@H](N1C2=NC3=CC(=NC(=C3N2CC4CCC(CC4)C)C5=CC(=CN=C5)Cl)C6=NC(=O)ON6)C)C(=C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):