Geometry & MOs

Info

ID:

16157

PubChem CID:

460340

Reduced:

N4C20H39 (2)

Stoich.:

A4B20C39 (2)

Weight, g/mol:

670.634945

ΔHf, kcal/mol:

-11.63

Dipole, Da:

4.01

IP(EA), eV:

 -8.42(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,4,8-triethyl-11-[[4-[(4,8,11-triethyl-1,4,8,11-tetrazacyclotetradec-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

CCN1CCCN(CCN(CCCN(CC1)CC)CC2=CC=C(C=C2)CN3CCCN(CCN(CCCN(CC3)CC)CC)CC)CC

DOS

IR

Vibrations