Geometry & MOs

Info

ID:	256725
PubChem CID:	103140936
Reduced:	BrNC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	301.159727
ΔH_f, kcal/mol:	28.83
Dipole, Da:	3.07
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]isoquinoline

Drug info:

PubChemData

Smile

CC(CC1=CC=CC2=C1C=NC=C2)CBr

DOS

IR

Vibrations