Geometry & MOs

Info

ID:	67975
PubChem CID:	46507535
Reduced:	OF2N5H7C11 (1)
Stoich.:	AB2C5D7E11 (1)
Weight, g/mol:	431.140055
ΔH_f, kcal/mol:	8.72
Dipole, Da:	6.97
IP(EA), eV:	-9.92(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)CN2C3=NC=NC(=O)C3=NN2

DOS

IR

Vibrations