Geometry & MOs

Info

ID:	309605
PubChem CID:	126550695
Reduced:	F3C21H31 (1)
Stoich.:	A3B21C31 (1)
Weight, g/mol:	195.108171
ΔH_f, kcal/mol:	-190.21
Dipole, Da:	3.26
IP(EA), eV:	-9.18(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-4-(2-methylpentan-2-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

C=CC1CCC(CC1)C2CCC(=CC2)C3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations