Geometry & MOs

Info

ID:	441943
PubChem CID:	135246867
Reduced:	OF2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	408.20132
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	3.67
IP(EA), eV:	-9.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)pyridin-2-yl]methyl]pyridine

Drug info:

PubChemData

Smile

COC1=C(C=NC=C1)C2=CN=CN=C2CC3=CC=C(C=C3)C(F)F

DOS

IR

Vibrations