Geometry & MOs

Info

ID:	257013
PubChem CID:	103143045
Reduced:	NOF2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	-75.06
Dipole, Da:	1.14
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations