Geometry & MOs

Info

ID:	59214
PubChem CID:	24775764
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	7.82
IP(EA), eV:	-8.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-(2-hydroxyphenyl)-5-methyl-4-oxo-2,3-dihydropyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations