Geometry & MOs

Info

ID:	24644
PubChem CID:	611699
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	1.74
IP(EA), eV:	-8.73(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC3=C2C=C(C=C3)O)(C)C(=O)OC

DOS

IR

Vibrations