Geometry & MOs

Info

ID:	441845
PubChem CID:	135245810
Reduced:	OF5N5H18C24 (1)
Stoich.:	AB5C5D18E24 (1)
Weight, g/mol:	476.151176
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	3.09
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-difluorophenyl)-1,1-difluoroethyl]-5-[2-[4-[(6-methylpyridin-3-yl)methoxy]phenyl]ethynyl]pyridine

Drug info:

PubChemData

Smile

C1C=C(C=CC(=N1)C(C(CN2C=NN=N2)(C3=C(CC(C=C3)F)F)O)(F)F)C#CC4=CC=C(C=C4)F

DOS

IR

Vibrations