Geometry & MOs

Info

ID:	256728
PubChem CID:	103140957
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	229.065827
ΔH_f, kcal/mol:	5.95
Dipole, Da:	3.6
IP(EA), eV:	-8.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-chlorocyclopenten-1-yl)isoquinoline

Drug info:

PubChemData

Smile

COCCSC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations