Geometry & MOs

Info

ID:	41490
PubChem CID:	8145964
Reduced:	Cl2N3H17C23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	116.29
Dipole, Da:	1.48
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxynaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C2=CC=C(C=C2)Cl)N=CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations