Geometry & MOs

Info

ID:	413253
PubChem CID:	135086200
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	471.158292
ΔH_f, kcal/mol:	43.58
Dipole, Da:	5.15
IP(EA), eV:	-8.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(4-nitrophenyl)-3-(2-phenylethynyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations