Geometry & MOs

Info

ID:	265375
PubChem CID:	103518989
Reduced:	BrN3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	331.01677
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	7.51
IP(EA), eV:	-10.18(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-5-nitropyridin-4-yl)amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC1=C(C=NC=C1[N+](=O)[O-])Br

DOS

IR

Vibrations