Geometry & MOs

Info

ID:	46913
PubChem CID:	10528323
Reduced:	OPN3C29H32 (1)
Stoich.:	ABC3D29E32 (1)
Weight, g/mol:	469.320546
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	3.76
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(naphthalen-2-ylmethylamino)ethyl]-N-[2-[2-(naphthalen-2-ylmethylamino)ethylamino]ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1[C@@H]([C@H](N(P1(=O)N2CCCCC2)C)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations