Geometry & MOs

Info

ID:	200829
PubChem CID:	79449693
Reduced:	ClO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	282.048129
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	1.97
IP(EA), eV:	-9.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)propane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCC(CO)(CO)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations