Geometry & MOs

Info

ID:	142747
PubChem CID:	53084510
Reduced:	ClSO2N6C24H27 (1)
Stoich.:	ABC2D6E24F27 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	0.85
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCC(=O)N3CCN(CC3)C4=NC5=C(S4)N=CC=C5

DOS

IR

Vibrations