Geometry & MOs

Info

ID:	395534
PubChem CID:	135025717
Reduced:	ClINOH15C22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	470.98869
ΔH_f, kcal/mol:	103.39
Dipole, Da:	5.24
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)prop-2-ynyl]-2-iodo-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCN(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations