Geometry & MOs

Info

ID:	13062
PubChem CID:	220479
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	227.090606
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	3.88
IP(EA), eV:	-9.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)C(=O)NCCO

DOS

IR

Vibrations