Geometry & MOs

Info

ID:	19792
PubChem CID:	572831
Reduced:	NO2F6H9C15 (1)
Stoich.:	AB2C6D9E15 (1)
Weight, g/mol:	349.053748
ΔH_f, kcal/mol:	-347.26
Dipole, Da:	3.88
IP(EA), eV:	-9.41(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoethyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC(=O)N(C=C1)CC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations