Geometry & MOs

Info

ID:	335428
PubChem CID:	127254290
Reduced:	ClON4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	272.9992
ΔH_f, kcal/mol:	35.97
Dipole, Da:	7.4
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethane-1,2-diamine;hydrate;hydrochloride

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2NC(=O)C1N3C=NC(=N3)Cl

DOS

IR

Vibrations