Geometry & MOs

Info

ID:

169466

PubChem CID:

75106539

Reduced:

Cl2O5N8C40H44 (1)

Stoich.:

A2B5C8D40E44 (1)

Weight, g/mol:

300.160456

ΔHf, kcal/mol:

-140.33

Dipole, Da:

11.21

IP(EA), eV:

 -9.05(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)pyrrolidin-2-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)C(=N)N)N=C2CN(C4=CC=C(C=C4)OC5CCN(CC5)C(=N)C)C(=O)C6=CC=C(C=C6)C(=O)O.Cl.Cl

DOS

IR

Vibrations