Geometry & MOs

Info

ID:	441523
PubChem CID:	135235664
Reduced:	OF2N3H15C21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	367.093247
ΔH_f, kcal/mol:	-25.9
Dipole, Da:	5.99
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[6-(trifluoromethyl)pyridin-3-yl]oxypyridin-3-yl]isoquinoline

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)OC2=C(C=CC=N2)C3=CN=CC4=CC=CC=C43)(F)F

DOS

IR

Vibrations