Geometry & MOs

Info

ID:	256952
PubChem CID:	103142639
Reduced:	BrOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	2.38
IP(EA), eV:	-9.54(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-ylcycloheptan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCCC2)CBr

DOS

IR

Vibrations