Geometry & MOs

Info

ID:	276005
PubChem CID:	103819875
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	213.086189
ΔH_f, kcal/mol:	-86.3
Dipole, Da:	4.75
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethoxy)ethyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CN2)C(=O)NCCOCC(=O)N

DOS

IR

Vibrations