Geometry & MOs

Info

ID:	441525
PubChem CID:	135235770
Reduced:	OF2N3H15C21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	330.097998
ΔH_f, kcal/mol:	-25.75
Dipole, Da:	4.16
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-[4-(trifluoromethyl)phenoxy]pyridin-3-yl]pyridine

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)OC2=C(C=CC=N2)C3=CC=NC4=CC=CC=C34)(F)F

DOS

IR

Vibrations