Geometry & MOs

Info

ID:	265376
PubChem CID:	103519021
Reduced:	BrN3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	343.01677
ΔH_f, kcal/mol:	-76.72
Dipole, Da:	2.67
IP(EA), eV:	-9.79(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-nitropyridin-4-yl)amino]-1-methylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)CNC1=C(C=NC=C1[N+](=O)[O-])Br

DOS

IR

Vibrations