Geometry & MOs

Info

ID:	413785
PubChem CID:	135086735
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	440.188863
ΔH_f, kcal/mol:	10.59
Dipole, Da:	1.68
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C3=CC=CC=C3N2COC

DOS

IR

Vibrations