Geometry & MOs

Info

ID:	252153
PubChem CID:	103109448
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	260.067618
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	3.29
IP(EA), eV:	-9.55(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C(C)CCN

DOS

IR

Vibrations