Geometry & MOs

Info

ID:	395532
PubChem CID:	135025715
Reduced:	ClINOH15C22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	470.98869
ΔH_f, kcal/mol:	98.8
Dipole, Da:	2.4
IP(EA), eV:	-9.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCN(C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations