Geometry & MOs

Info

ID:	250507
PubChem CID:	103097168
Reduced:	SN2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	1.82
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=N2)C(C)(C)CN

DOS

IR

Vibrations