Geometry & MOs

Info

ID:	217670
PubChem CID:	85088193
Reduced:	PO8C17H25 (1)
Stoich.:	AB8C17D25 (1)
Weight, g/mol:	388.128705
ΔH_f, kcal/mol:	-385.92
Dipole, Da:	4.26
IP(EA), eV:	-10.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-diethoxyphosphoryl-3-oxo-2-bicyclo[2.2.1]heptanyl)but-2-enedioate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(=C1C2CCC(C2)C1=O)C(=O)OC)C(=O)OC)OCC

DOS

IR

Vibrations