Geometry & MOs

Info

ID:	49197
PubChem CID:	11528901
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	1.76
IP(EA), eV:	-9.78(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2,4-dimethyl-2-[(3-methylphenyl)methyl]thiophen-3-one

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C(=O)C(O1)(C)C)[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations