Geometry & MOs

Info

ID:	441931
PubChem CID:	135246755
Reduced:	F3N3H14C21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	4.39
IP(EA), eV:	-9.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)N=CC=N2)C3=C(N=CC=C3)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations