Geometry & MOs

Info

ID:	284039
PubChem CID:	104029263
Reduced:	BrN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	4.4
IP(EA), eV:	-9.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-ethyl-2-methylcyclopentyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1CCC(C1C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations