Geometry & MOs

Info

ID:	213445
PubChem CID:	81063740
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-175.57
Dipole, Da:	2.96
IP(EA), eV:	-8.59(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations