Geometry & MOs

Info

ID:	441904
PubChem CID:	135246568
Reduced:	FN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	338.159455
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	2.84
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(4-ethylpyridin-3-yl)pyridine

Drug info:

PubChemData

Smile

CC1C=CN=C(C1C2=C(C=C(C=C2)F)OC)OC3=CN=C(N=C3)N(C)CC(=O)OC

DOS

IR

Vibrations