Geometry & MOs

Info

ID:	252398
PubChem CID:	103111086
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	258.132805
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	1.65
IP(EA), eV:	-9.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(2-hydroxy-3-methoxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C(C)N1C(=C(N=N1)C(=O)OCC)CN

DOS

IR

Vibrations