Geometry & MOs

Info

ID:	217669
PubChem CID:	85088192
Reduced:	Cl2N3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	388.128705
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	2.06
IP(EA), eV:	-9.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-diethoxyphosphoryl-3-(3-oxo-2-bicyclo[2.2.1]heptanylidene)butanedioate

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(C(=O)N(C(=O)C2=CC(=C(C=C2)Cl)Cl)N)O)N

DOS

IR

Vibrations