Geometry & MOs

Info

ID:	340277
PubChem CID:	127262288
Reduced:	NCl2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	244.013851
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	6.1
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;ethenyl acetate

Drug info:

PubChemData

Smile

CCNCCC(C1=CC(=C(C=C1)C2CCCCC2)Cl)(C(=O)O)Cl

DOS

IR

Vibrations