Geometry & MOs

Info

ID:	162480
PubChem CID:	57394804
Reduced:	NOH5C7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	288.027725
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	6.38
IP(EA), eV:	-8.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-chlorophenyl)-5-(trifluoromethyl)pyridin-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)/C(=C/4\C5=CC=CC=C5NC4=O)/O

DOS

IR

Vibrations