Geometry & MOs

Info

ID:	287765
PubChem CID:	104294072
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	3.99
IP(EA), eV:	-9.83(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-butyl-3-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(C)CC2CC(C2)Cl

DOS

IR

Vibrations