Geometry & MOs

Info

ID:	404725
PubChem CID:	135069967
Reduced:	O4C33H42 (1)
Stoich.:	A4B33C42 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-135.59
Dipole, Da:	5.14
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,5-dimethyl-7-methylidene-4,9-dioxo-1-prop-2-enylbicyclo[3.3.1]non-2-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC1=C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C(C1=O)(CC=C(C)C)CC(CC=C(C)C)C(=C)C)O)C

DOS

IR

Vibrations