Geometry & MOs

Info

ID:	256708
PubChem CID:	103140873
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	34.66
Dipole, Da:	6.22
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-5,5-dimethylcyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations