Geometry & MOs

Info

ID:	256500
PubChem CID:	103139611
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	287.05132
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	4.11
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations