Geometry & MOs

Info

ID:	285270
PubChem CID:	104098914
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	338.03784
ΔH_f, kcal/mol:	41.81
Dipole, Da:	3.51
IP(EA), eV:	-9.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCCN2C=CN=N2)C(=O)N

DOS

IR

Vibrations