Geometry & MOs

Info

ID:	59730
PubChem CID:	24895070
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	288.104771
ΔH_f, kcal/mol:	49.09
Dipole, Da:	3.02
IP(EA), eV:	-8.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12E)-15,15-dichlorobicyclo[11.2.0]pentadec-12-en-14-one

Drug info:

PubChemData

Smile

C=CCC(C1=CC=C(C=C1)C#N)NC2=CC=CC=C2O

DOS

IR

Vibrations