Geometry & MOs

Info

ID:	256445
PubChem CID:	103139252
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	19.83
Dipole, Da:	1.61
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl(isoquinolin-8-yl)methanol

Drug info:

PubChemData

Smile

CCCNC1CCCCC1C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations