Geometry & MOs

Info

ID:	395529
PubChem CID:	135025712
Reduced:	INOH18C23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	451.04331
ΔH_f, kcal/mol:	102.28
Dipole, Da:	4.05
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations