Geometry & MOs

Info

ID:	256420
PubChem CID:	103139144
Reduced:	BrFNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	289.071448
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	2.65
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(2,4,6-trifluorophenyl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations