Geometry & MOs

Info

ID:	253977
PubChem CID:	103121952
Reduced:	ION4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	276.089226
ΔH_f, kcal/mol:	120.01
Dipole, Da:	5.51
IP(EA), eV:	-9.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(3-ethylsulfonylpropyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NC(=NO3)I

DOS

IR

Vibrations