Geometry & MOs

Info

ID:	258425
PubChem CID:	103153768
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	235.095691
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	3.83
IP(EA), eV:	-9.81(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyanopyridin-3-yl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations