Geometry & MOs

Info

ID:	82406
PubChem CID:	49855993
Reduced:	ON2H12C17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	68.39
Dipole, Da:	2.82
IP(EA), eV:	-8.49(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminopyridin-2-yl)-2-phenylethane-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC=CC2=NC3=CC4=CC=CC=C4C=C3N=C21

DOS

IR

Vibrations