Geometry & MOs

Info

ID:	335442
PubChem CID:	127254304
Reduced:	BrNaO2C4H4N4 (1)
Stoich.:	ABC2D4E4F4 (1)
Weight, g/mol:	219.95959
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	11.04
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-bromo-1,2,4-triazol-1-yl)acetic acid

Drug info:

PubChemData

Smile

C(C(=O)[O-])N1C(=NC(=N1)Br)N.[Na+]

DOS

IR

Vibrations