Geometry & MOs

Info

ID:	12824
PubChem CID:	146286
Reduced:	N4C7H17 (2)
Stoich.:	A4B7C17 (2)
Weight, g/mol:	314.290643
ΔH_f, kcal/mol:	16.17
Dipole, Da:	4.68
IP(EA), eV:	-8.48(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine

Drug info:

PubChemData

Smile

C1CNCC2(CNCCNCC(CN1)(CNCCNC2)N)N

DOS

IR

Vibrations