Geometry & MOs

Info

ID:	317333
PubChem CID:	126636196
Reduced:	ClF2O2N3H14C18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	393.154035
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	2.2
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(1E,3Z)-1-[(2,6-difluorophenyl)methoxy]penta-1,3-dienyl]-2-methylpyridin-3-yl]phenol

Drug info:

PubChemData

Smile

CC1=C(N2C=C(C=C(C2=N1)OCC3=C(C=CC=C3F)F)Cl)C4=NCCO4

DOS

IR

Vibrations