Geometry & MOs

Info

ID:	213501
PubChem CID:	81063923
Reduced:	NF2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	283.080435
ΔH_f, kcal/mol:	-223.29
Dipole, Da:	4.18
IP(EA), eV:	-9.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=C(C=C(C=C1)F)F

DOS

IR

Vibrations