Geometry & MOs

Info

ID:	225883
PubChem CID:	87235925
Reduced:	ClN3O4H24C30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	752.185656
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	8.69
IP(EA), eV:	-8.38(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-5-phenyl-N-(4,4,4-trifluorobutyl)-1H-indazol-3-amine

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

CC(C)C1=CC=C(C=C1)C2=C(C=CC3=C(C(=O)N=C32)NNC4=CC=CC(=C4O)C5=CC(=CC=C5)C(=O)O)Cl

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

CC(C)C1=CC=C(C=C1)C2=C(C=CC3=C(C(=O)N=C32)NNC4=CC=CC(=C4O)C5=CC(=CC=C5)C(=O)O)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):