Geometry & MOs

Info

ID:

421920

PubChem CID:

135116848

Reduced:

O5N7C30H41 (1)

Stoich.:

A5B7C30D41 (1)

Weight, g/mol:

355.189592

ΔHf, kcal/mol:

-166.98

Dipole, Da:

8.95

IP(EA), eV:

 -9.6(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCN3C=CC=N3)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations