Geometry & MOs

Info

ID:	206938
PubChem CID:	80321708
Reduced:	NOSC15H25 (1)
Stoich.:	ABCD15E25 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	1.96
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC2(CCCCC2)CO

DOS

IR

Vibrations