Geometry & MOs

Info

ID:	446155
PubChem CID:	135272770
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	-9.44
Dipole, Da:	2.8
IP(EA), eV:	-9.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-3-(6-methylpyridin-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC=CC(=N1)CN=[N+]=[N-]

DOS

IR

Vibrations