Geometry & MOs

Info

ID:	256434
PubChem CID:	103139213
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	303.021769
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	5.38
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations