Geometry & MOs

Info

ID:	26448
PubChem CID:	648582
Reduced:	ON7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	349.106256
ΔH_f, kcal/mol:	104.72
Dipole, Da:	6.99
IP(EA), eV:	-9.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C4=NN=NN4C5=CC=CC=C5

DOS

IR

Vibrations