Geometry & MOs

Info

ID:	22348
PubChem CID:	596857
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	3.12
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(pyridin-3-ylmethyl)piperazine

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CN=CC=C4

DOS

IR

Vibrations