Geometry & MOs

Info

ID:	395530
PubChem CID:	135025713
Reduced:	INOH18C23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	451.04331
ΔH_f, kcal/mol:	99.97
Dipole, Da:	3.7
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC#CC2=CC=CC=C2)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations