Geometry & MOs

Info

ID:

214704

PubChem CID:

85083437

Reduced:

O3H40C41 (1)

Stoich.:

A3B40C41 (1)

Weight, g/mol:

580.377727

ΔHf, kcal/mol:

-9.4

Dipole, Da:

4.89

IP(EA), eV:

 -9.34(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-(8-methoxy-8a,9-dihydro-4bH-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCC2=CC(=CC=C2)CCC3C(C(=O)O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations