Geometry & MOs

Info

ID:	336200
PubChem CID:	127255207
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	257.91547
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	4.42
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2-(5-amino-3-bromo-1,2,4-triazol-1-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations