Geometry & MOs

Info

ID:	200623
PubChem CID:	79416695
Reduced:	O2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	247.103085
ΔH_f, kcal/mol:	-132.66
Dipole, Da:	5.27
IP(EA), eV:	-9.52(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol

Drug info:

PubChemData

Smile

CCCC1CCC(=O)C(C1)CC2CCCCO2

DOS

IR

Vibrations