Geometry & MOs

Info

ID:	284038
PubChem CID:	104029261
Reduced:	BrN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	340.04226
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	5.36
IP(EA), eV:	-9.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])Br)O

DOS

IR

Vibrations