Geometry & MOs

Info

ID:	218149
PubChem CID:	85088953
Reduced:	F2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	434.172939
ΔH_f, kcal/mol:	-292.96
Dipole, Da:	8.32
IP(EA), eV:	-9.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(2-hydroxyethyl)-5-methyl-7-oxo-2,3-diphenylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC(=O)OC1(C(=C)CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C(=O)F

DOS

IR

Vibrations