Geometry & MOs

Info

ID:	414081
PubChem CID:	135087035
Reduced:	N2O2H20C25 (1)
Stoich.:	A2B2C20D25 (1)
Weight, g/mol:	394.168128
ΔH_f, kcal/mol:	60.22
Dipole, Da:	3.21
IP(EA), eV:	-8.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-1-methyl-3-[2-(4-methylphenyl)ethynyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)NC3=CC=C(C=C3)OC)C#CC4=CC=CC=C4

DOS

IR

Vibrations