Geometry & MOs

Info

ID:	287764
PubChem CID:	104294069
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	296.09277
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	5.77
IP(EA), eV:	-9.79(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorocyclobutyl)methyl]-N,3-dimethyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)CCCl

DOS

IR

Vibrations