Geometry & MOs

Info

ID:	290386
PubChem CID:	104441326
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	284.00729
ΔH_f, kcal/mol:	105.42
Dipole, Da:	4.04
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromo-2-fluorophenyl)triazol-1-yl]ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN(N=N3)CCN

DOS

IR

Vibrations