Geometry & MOs

Info

ID:	386657
PubChem CID:	134982451
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	348.118401
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	5.21
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R)-1-methylsulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC[C@H]3[C@]2(CCC3=O)O

DOS

IR

Vibrations