Geometry & MOs

Info

ID:	395531
PubChem CID:	135025714
Reduced:	INOH18C23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	470.98869
ΔH_f, kcal/mol:	89.36
Dipole, Da:	4.37
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC#CC2=CC=CC=C2)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations