Geometry & MOs

Info

ID:	307457
PubChem CID:	125299983
Reduced:	BrO2N5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	365.152812
ΔH_f, kcal/mol:	30.03
Dipole, Da:	5.08
IP(EA), eV:	-9.29(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(3H-indol-6-yl)indole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations