Geometry & MOs

Info

ID:	258289
PubChem CID:	103152607
Reduced:	N3O4C10H15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	4.7
IP(EA), eV:	-10.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyanopyridine-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations