Geometry & MOs

Info

ID:	287766
PubChem CID:	104294075
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	6.5
IP(EA), eV:	-9.95(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(chloromethyl)pentan-3-yl]-3-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCN(CCBr)C(=O)C1=CC(=CC(=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations