Geometry & MOs

Info

ID:	285277
PubChem CID:	104098923
Reduced:	ClN6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	270.01162
ΔH_f, kcal/mol:	109.8
Dipole, Da:	5.69
IP(EA), eV:	-9.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1Cl)CNCCN3C=CN=N3

DOS

IR

Vibrations