Geometry & MOs

Info

ID:	59215
PubChem CID:	24775769
Reduced:	N2O2H16C19 (1)
Stoich.:	A2B2C16D19 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	10.89
Dipole, Da:	7.52
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-hydroxyphenyl)-5-methyl-2-(2-nitrophenyl)-2,3-dihydropyridin-4-one

Drug info:

PubChemData

Smile

CC1=CN([C@@H](CC1=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3O

DOS

IR

Vibrations