Geometry & MOs

Info

ID:	18733
PubChem CID:	547038
Reduced:	ON3C14H21 (2)
Stoich.:	AB3C14D21 (2)
Weight, g/mol:	494.336925
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	4.48
IP(EA), eV:	-8.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis[3-(4-methylpiperazin-1-yl)propyliminomethyl]naphthalene-2,6-diol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN=CC2=C(C=CC3=C2C=CC(=C3C=NCCCN4CCN(CC4)C)O)O

DOS

IR

Vibrations