Geometry & MOs

Info

ID:	257012
PubChem CID:	103143043
Reduced:	NOF2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	285.09652
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	3.28
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(difluoromethyl)phenyl]-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations