Geometry & MOs

Info

ID:	441522
PubChem CID:	135235661
Reduced:	ON4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	363.118318
ΔH_f, kcal/mol:	99.25
Dipole, Da:	4.78
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[6-(1,1-difluoroethyl)pyridin-3-yl]oxypyridin-3-yl]isoquinoline

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=C(N=CC=C2)OC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations