Geometry & MOs

Info

ID:	28864
PubChem CID:	830123
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-174.35
Dipole, Da:	4.6
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@@H]2C(=C(NC(=O)N2)C)C(=O)OCCC(C)C

DOS

IR

Vibrations