Geometry & MOs

Info

ID:	402423
PubChem CID:	135055912
Reduced:	NCl3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-178.17
Dipole, Da:	1.18
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-methyl-2-phenyl-3H-indene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)OC(=O)C[C@@H]1C2=CC=CC=C2C=CN1C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations