Geometry & MOs

Info

ID:	256476
PubChem CID:	103139486
Reduced:	BrNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	299.071306
ΔH_f, kcal/mol:	21.07
Dipole, Da:	3.53
IP(EA), eV:	-9.37(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)O)Br

DOS

IR

Vibrations