Geometry & MOs

Info

ID:	248729
PubChem CID:	103083997
Reduced:	BrN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	280.03236
ΔH_f, kcal/mol:	66.55
Dipole, Da:	5.99
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NNC(=N2)CN

DOS

IR

Vibrations