Geometry & MOs

Info

ID:	252362
PubChem CID:	103110790
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	296.123303
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	6.56
IP(EA), eV:	-9.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=CNC(=O)C=C1

DOS

IR

Vibrations