Geometry & MOs

Info

ID:

329343

PubChem CID:

126734990

Reduced:

N7H39C66 (1)

Stoich.:

A7B39C66 (1)

Weight, g/mol:

436.29506

ΔHf, kcal/mol:

384.95

Dipole, Da:

6.19

IP(EA), eV:

 -8.01(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-diamino-1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=C(C(=C4)C#N)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=C6C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

DOS

IR

Vibrations