Geometry & MOs

Info

ID:	253920
PubChem CID:	103121517
Reduced:	ON3C6H10 (2)
Stoich.:	AB3C6D10 (2)
Weight, g/mol:	214.10659
ΔH_f, kcal/mol:	-0.89
Dipole, Da:	4.9
IP(EA), eV:	-8.79(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(2-ethoxyethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(/C(=N/O)/N)N1CCN(CC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations