Geometry & MOs

Info

ID:	398997
PubChem CID:	135036830
Reduced:	SC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	240.078644
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	1.75
IP(EA), eV:	-8.68(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyphenyl)-2-(4-methylphenyl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1(CCC[C@H]2[C@H]1CC3=C(C2)SC=C3)C

DOS

IR

Vibrations