Geometry & MOs

Info

ID:	24326
PubChem CID:	609341
Reduced:	SN2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	204.07212
ΔH_f, kcal/mol:	53.89
Dipole, Da:	5.39
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-5-prop-2-enyl-2-sulfanylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1C#N)S)C)CC=C

DOS

IR

Vibrations