Geometry & MOs

Info

ID:	213966
PubChem CID:	81065600
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	6.4
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carbamoyl-6-methylpyridin-2-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=NC2=CC=CC=C2C(=C1)C#N

DOS

IR

Vibrations