Geometry & MOs

Info

ID:	220439
PubChem CID:	85195361
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	214.084124
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	1.5
IP(EA), eV:	-10.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyloxy-7-oxabicyclo[4.1.0]heptan-3-yl) acetate

Drug info:

PubChemData

Smile

CC12CC(C(O1)(C=CC2O)C)(C#N)Cl

DOS

IR

Vibrations