Geometry & MOs

Info

ID:

393255

PubChem CID:

135019894

Reduced:

O2N3C18H29 (1)

Stoich.:

A2B3C18D29 (1)

Weight, g/mol:

464.018672

ΔHf, kcal/mol:

44.57

Dipole, Da:

8.26

IP(EA), eV:

 -8.52(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,9,16,21,26,33-hexaoxa-3,5,8,10,12,13,15,17,20,22,25,27,29,30,32,34-hexadecazaheptacyclo[29.3.0.02,6.07,11.014,18.019,23.024,28]tetratriaconta-1(34),2,5,7,10,12,14,17,19,22,24,27,29,31-tetradecaene

Drug info:

PubChemData

Smile

CC1CC2CC3[C@@H]4C2(CCCN(CCC4)C)[C@]5(C1)N3OC(=O)N5

DOS

IR

Vibrations