Geometry & MOs

Info

ID:	392706
PubChem CID:	135017707
Reduced:	OC12H12 (2)
Stoich.:	AB12C12 (2)
Weight, g/mol:	344.17763
ΔH_f, kcal/mol:	-10.85
Dipole, Da:	3.34
IP(EA), eV:	-9.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-methyl-1-phenyl-3-(phenylmethoxymethyl)-2H-inden-1-ol

Drug info:

PubChemData

Smile

C1C(CC1(C2=CC=CC=C2)O)(COCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations