Geometry & MOs

Info

ID:	83494
PubChem CID:	49857658
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	2.92
IP(EA), eV:	-9.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S,8aS)-8-methyl-6-oxo-7,8,9,10-tetrahydrophenanthrene-8a-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)C)[C@]1(CCC2=CC=CC=C2C1=O)C(=O)OC

DOS

IR

Vibrations