Geometry & MOs

Info

ID:	206450
PubChem CID:	80251932
Reduced:	OSN2C14H26 (1)
Stoich.:	ABC2D14E26 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-76.22
Dipole, Da:	4.62
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)N(CCC(=S)N)C(C)C

DOS

IR

Vibrations