Geometry & MOs

Info

ID:	441919
PubChem CID:	135246718
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	369.165269
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	3.12
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-difluorobutyl)-5-[[3-(2-methoxypyridin-3-yl)pyridin-2-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)OC2=C(C=CC=N2)C3=C(C=C(C=C3)F)OC

DOS

IR

Vibrations