Geometry & MOs

Info

ID:	256961
PubChem CID:	103142719
Reduced:	BrClOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	5.14
IP(EA), eV:	-9.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-2-methylpentan-3-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CBr)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations