Geometry & MOs

Info

ID:	295218
PubChem CID:	117521997
Reduced:	ClON5C11H16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	243.01196
ΔH_f, kcal/mol:	28.28
Dipole, Da:	5.88
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-2,3-dimethylimidazo[1,2-b][1,2,4]triazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CN1C(=NN2C1=NC(=C2Cl)CN)C3CCOCC3

DOS

IR

Vibrations