Geometry & MOs

Info

ID:	442492
PubChem CID:	135252438
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	372.108562
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	2.95
IP(EA), eV:	-8.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-6-(4-methylpyridin-2-yl)pyridin-2-yl]-[4-(trifluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC=CC(=N2)C3=CC=CC=N3

DOS

IR

Vibrations