Geometry & MOs

Info

ID:	234640
PubChem CID:	92303219
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	239.101839
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	2.24
IP(EA), eV:	-9.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-(azidomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C(=C(NC(=O)N1)C)C(=O)OCC

DOS

IR

Vibrations