Geometry & MOs

Info

ID:	16790
PubChem CID:	476834
Reduced:	N4C14H31 (2)
Stoich.:	A4B14C31 (2)
Weight, g/mol:	510.509744
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	3.98
IP(EA), eV:	-8.33(2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(1,5,9-triazacyclododec-1-yl)propyl]-1,5,9,13,17-pentazacyclohenicosane

Drug info:

PubChemData

Smile

C1CCNCCCNCCCN(CCCNCCCNC1)CCCN2CCCNCCCNCCC2

DOS

IR

Vibrations