Geometry & MOs

Info

ID:	256386
PubChem CID:	103138926
Reduced:	NOF2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-71.61
Dipole, Da:	4.73
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-phenoxypropan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations