Geometry & MOs

Info

ID:	256506
PubChem CID:	103139635
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	283.100857
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	5.79
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methoxyphenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1CCOC(C1)CCC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations