Geometry & MOs

Info

ID:	392703
PubChem CID:	135017704
Reduced:	ClO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	316.086622
ΔH_f, kcal/mol:	-88.05
Dipole, Da:	1.89
IP(EA), eV:	-9.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1(CC(C1)(C2=CC=CC=C2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations