Geometry & MOs

Info

ID:	257168
PubChem CID:	103144160
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	4.14
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-ylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCC(=O)CCC1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations