Geometry & MOs

Info

ID:	256712
PubChem CID:	103140886
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	245.097127
ΔH_f, kcal/mol:	35.67
Dipole, Da:	5.86
IP(EA), eV:	-8.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-chlorocyclohexyl)isoquinoline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations