Geometry & MOs

Info

ID:	285284
PubChem CID:	104098934
Reduced:	FON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	28.35
Dipole, Da:	4.1
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)CNCCN3C=CN=N3)F

DOS

IR

Vibrations