Geometry & MOs

Info

ID:	197786
PubChem CID:	78996829
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	273.051634
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	3.19
IP(EA), eV:	-8.72(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorobut-2-enyl)-1-ethyl-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC(C(=O)OCC)OC1=C(C=C(C=C1)C)[C@H](C)N

DOS

IR

Vibrations