Geometry & MOs

Info

ID:	191934
PubChem CID:	78205090
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	215.090606
ΔH_f, kcal/mol:	-62.37
Dipole, Da:	5.34
IP(EA), eV:	-9.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3,5-dioxo-1,2,4-triazinan-6-yl)propanoate

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations