Geometry & MOs

Info

ID:	320302
PubChem CID:	126659407
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	181.092521
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	5.97
IP(EA), eV:	-8.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5E)-2-methyl-4,5-di(propylidene)-1,3-thiazole

Drug info:

PubChemData

Smile

CCC1=C(C(=C(O1)C(=O)N)CNC)/C=C\C

DOS

IR

Vibrations