Geometry & MOs

Info

ID:	16559
PubChem CID:	472681
Reduced:	N8C27H62 (1)
Stoich.:	A8B27C62 (1)
Weight, g/mol:	498.509744
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	4.39
IP(EA), eV:	-8.47(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,4,12-tris(4-aminobutyl)-1,4,8,12-tetrazacyclopentadec-8-yl]butan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCCN(CCN(CCCN(C1)CCCCN)CCCCN)CCCCN)CCCCN

DOS

IR

Vibrations