Geometry & MOs

Info

ID:	131725
PubChem CID:	51253679
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	4.76
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)CCN1C2=CC=CC=C2C(=O)C=N1)C3=CC=CC=C3

DOS

IR

Vibrations