Geometry & MOs

Info

ID:	414080
PubChem CID:	135087034
Reduced:	BrINO2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	380.152478
ΔH_f, kcal/mol:	5.04
Dipole, Da:	2.62
IP(EA), eV:	-8.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-1-methyl-3-(2-phenylethynyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=NC=CC(=C2Br)I

DOS

IR

Vibrations