Geometry & MOs

Info

ID:	13424
PubChem CID:	231520
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-91.12
Dipole, Da:	3.33
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1=O)C3=CC=CC=C3C=C2)C(=O)OC

DOS

IR

Vibrations