Geometry & MOs

Info

ID:	212641
PubChem CID:	81061289
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	0.56
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]-2,2,3-trimethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)(C)C(C)(C)C(=O)O

DOS

IR

Vibrations