Geometry & MOs

Info

ID:	206960
PubChem CID:	80324949
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	76.94
Dipole, Da:	2.55
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CCNCC1=CC=CC2=C1N(C=C2)CC3=NC=CS3

DOS

IR

Vibrations