Geometry & MOs

Info

ID:	441937
PubChem CID:	135246806
Reduced:	ON2F5H11C18 (1)
Stoich.:	AB2C5D11E18 (1)
Weight, g/mol:	374.235814
ΔH_f, kcal/mol:	-202.1
Dipole, Da:	6.78
IP(EA), eV:	-9.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1-ethoxy-2-methylpropan-2-yl)phenyl]methyl]-3-(2-ethylpyridin-3-yl)pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(N=CC=C2)OC3=CN=C(C=C3)C(F)(F)F)C(F)F

DOS

IR

Vibrations