Geometry & MOs

Info

ID:

296766

PubChem CID:

117591837

Reduced:

NSCl2O3C38H45 (1)

Stoich.:

ABC2D3E38F45 (1)

Weight, g/mol:

806.233173

ΔHf, kcal/mol:

-148.32

Dipole, Da:

7.14

IP(EA), eV:

 -8.39(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione;naphthalene-1,5-disulfonic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C.CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl

DOS

IR

Vibrations