Geometry & MOs

Info

ID:	82247
PubChem CID:	49855804
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	6.92
IP(EA), eV:	-9.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminopyridin-2-yl)-2-phenylethane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=NC=C1)C(=O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations