Geometry & MOs

Info

ID:	325503
PubChem CID:	126683682
Reduced:	NO3C33H33 (1)
Stoich.:	AB3C33D33 (1)
Weight, g/mol:	596.184189
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	6.33
IP(EA), eV:	-8.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxypiperidin-1-yl)-[4-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone

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

CC1=CC(=CC(=C1C2CC2)C(=O)O)[C@@H]3C[C@@H](OC4=CC=CC=C34)CN[C@H](C)C5=CC=CC6=CC=CC=C65

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

CC1=CC(=CC(=C1C2CC2)C(=O)O)[C@@H]3C[C@@H](OC4=CC=CC=C34)CN[C@H](C)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):