Geometry & MOs

Info

ID:	21158
PubChem CID:	587364
Reduced:	ClINOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	384.97304
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	3.76
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-iodo-2,6-dimethylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)Cl)C)I

DOS

IR

Vibrations