Geometry & MOs

Info

ID:	256414
PubChem CID:	103139098
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	271.08087
ΔH_f, kcal/mol:	19.68
Dipole, Da:	2.23
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations