Geometry & MOs

Info

ID:	335441
PubChem CID:	127254303
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	241.94153
ΔH_f, kcal/mol:	36.89
Dipole, Da:	3.78
IP(EA), eV:	-8.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1)CCN2C=CC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations