Geometry & MOs

Info

ID:	24596
PubChem CID:	611249
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-124.91
Dipole, Da:	4.89
IP(EA), eV:	-9.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC12CCCC(C1CC(=O)C3=CC=CC=C23)(C)C(=O)OC

DOS

IR

Vibrations