Geometry & MOs

Info

ID:	392704
PubChem CID:	135017705
Reduced:	ClO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	316.086622
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	2.6
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3R)-5-chloro-3-hydroxy-1-methyl-3-phenyl-2H-indene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C[C@](C2=C1C=CC(=C2)Cl)(C3=CC=CC=C3)O)C(=O)OC

DOS

IR

Vibrations