Geometry & MOs

Info

ID:	260242
PubChem CID:	103186198
Reduced:	N3O4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	5.35
IP(EA), eV:	-10.18(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl-methylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CNC(C)C(=O)O

DOS

IR

Vibrations