Geometry & MOs

Info

ID:	212640
PubChem CID:	81061288
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	8.19
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyano-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)(C2CC2)C(=O)O

DOS

IR

Vibrations