Geometry & MOs

Info

ID:	83707
PubChem CID:	49860419
Reduced:	ClO3N4C24H39 (1)
Stoich.:	AB3C4D24E39 (1)
Weight, g/mol:	729.386287
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	4.81
IP(EA), eV:	-8.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-[amino-[(2-methoxyphenyl)methyl]amino]hexyl]-N-[6-[(2-methoxyphenyl)methylamino]hexyl]heptane-1,7-diamine;tetrahydrochloride

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCN3CCN(CC3)CC(CO)O)OC.Cl

DOS

IR

Vibrations