Geometry & MOs

Info

ID:	252416
PubChem CID:	103111206
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	4.6
IP(EA), eV:	-10.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(2-hydroxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(ON=C2C)C)CN

DOS

IR

Vibrations