Geometry & MOs

Info

ID:	395528
PubChem CID:	135025711
Reduced:	ON3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	451.04331
ΔH_f, kcal/mol:	70.84
Dipole, Da:	3.56
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(4-methylphenyl)-N-(3-phenylprop-2-ynyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C2=CC3=CC=CC=C3N2C4=NC=CC=N4)C

DOS

IR

Vibrations