Geometry & MOs

Info

ID:	441935
PubChem CID:	135246804
Reduced:	ON2F3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-124.05
Dipole, Da:	6.8
IP(EA), eV:	-9.39(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[2-[4-[2-(1-methylpyrazol-4-yl)ethyl]phenoxy]pyridin-3-yl]pyridine

Drug info:

PubChemData

Smile

CC/C(=C(/C)\C1=C(N=CC=C1)OC2=CN=C(C=C2)C(F)(F)F)/C=C\C

DOS

IR

Vibrations