Geometry & MOs

Info

ID:	261197
PubChem CID:	103222017
Reduced:	ClINOC16H21 (1)
Stoich.:	ABCDE16F21 (1)
Weight, g/mol:	398.98869
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	4.8
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-ethyl-4-iodo-N-(4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations