Geometry & MOs

Info

ID:	379452
PubChem CID:	134419536
Reduced:	OSC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	252.154787
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	1.57
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-dimethylpropyl)-4-(2-sulfanylethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)S)CC(C)(C)C

DOS

IR

Vibrations