Geometry & MOs

Info

ID:	272920
PubChem CID:	103766620
Reduced:	NOC10H23 (1)
Stoich.:	ABC10D23 (1)
Weight, g/mol:	415.94247
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	1.99
IP(EA), eV:	-8.96(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-iodophenyl)-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CNC(C)(CC)CC)O

DOS

IR

Vibrations