Geometry & MOs

Info

ID:	53077
PubChem CID:	14709526
Reduced:	O3N5C18H39 (1)
Stoich.:	A3B5C18D39 (1)
Weight, g/mol:	417.331505
ΔH_f, kcal/mol:	-118.38
Dipole, Da:	3.99
IP(EA), eV:	-8.79(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,19,24,27-tetraoxa-1,4,7,10,13-pentazabicyclo[11.8.8]nonacosane

Drug info:

PubChemData

Smile

C1CNCCN2CCOCCN(CCNCCN1)CCOCCOCC2

DOS

IR

Vibrations