Geometry & MOs

Info

ID:	280069
PubChem CID:	103846685
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	30.77
Dipole, Da:	4.41
IP(EA), eV:	-9.3(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-(2-methyloxolan-3-yl)sulfanylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1C(CCO1)SC2=NC=CN=C2C#N

DOS

IR

Vibrations