Geometry & MOs

Info

ID:	381838
PubChem CID:	134972683
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	292.128572
ΔH_f, kcal/mol:	-115.56
Dipole, Da:	1.99
IP(EA), eV:	-9.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-4-phenyl-5-phenylsulfanylcyclohexa-1,4-diene

Drug info:

PubChemData

Smile

CC1[C@H](C[C@@H]2O[C@@H](C1O2)C3=CC=CC=C3)O

DOS

IR

Vibrations