Geometry & MOs

Info

ID:	258428
PubChem CID:	103153847
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-160.52
Dipole, Da:	4.95
IP(EA), eV:	-9.4(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=NC=NC(=C1)NCC(CC(=O)O)OC

DOS

IR

Vibrations