Geometry & MOs

Info

ID:	283866
PubChem CID:	104014140
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	293.102749
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	5.02
IP(EA), eV:	-9.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C(=O)CC2=NC=C(C(=C2C)OC)C)C

DOS

IR

Vibrations