Geometry & MOs

Info

ID:	253905
PubChem CID:	103121422
Reduced:	O2N5C9H15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	262.073576
ΔH_f, kcal/mol:	-4.26
Dipole, Da:	5.11
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=N/O)/N)N(C)C(=O)C1=NN(C=C1)C

DOS

IR

Vibrations