Geometry & MOs

Info

ID:	213984
PubChem CID:	81065621
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	6.13
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-nitropyridin-2-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC=C(C=C1C)[N+](=O)[O-]

DOS

IR

Vibrations