Geometry & MOs

Info

ID:	260241
PubChem CID:	103186171
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	3.21
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(CCC1=NC=C(C(=C1C)[N+](=O)[O-])C)COC

DOS

IR

Vibrations