Geometry & MOs

Info

ID:	197301
PubChem CID:	78951321
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-166.39
Dipole, Da:	9.88
IP(EA), eV:	-10.85(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenylprop-2-enyl)-1-propylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C=C(C(=O)N(C1=O)CC(=CC(=O)O)C)[N+](=O)[O-]

DOS

IR

Vibrations