Geometry & MOs

Info

ID:	212462
PubChem CID:	81060598
Reduced:	N3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	48.13
Dipole, Da:	4.71
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dioxothiolan-3-yl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC=CC=C2C(C)C

DOS

IR

Vibrations