Geometry & MOs

Info

ID:	432337
PubChem CID:	135172470
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	7.99
IP(EA), eV:	-9.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4E,5E)-4-ethylidene-2-methyl-6-oxo-5-prop-2-enylidenepyrimidin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C/C=C\C(=NC=C)C(=O)N(C)C1CCC(=O)NC1=O

DOS

IR

Vibrations