Geometry & MOs

Info

ID:

1957

PubChem CID:

5422

Reduced:

NO3C19H21 (2)

Stoich.:

AB3C19D21 (2)

Weight, g/mol:

622.304287

ΔHf, kcal/mol:

-120.6

Dipole, Da:

6.7

IP(EA), eV:

 -7.92(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

DOS

IR

Vibrations