Geometry & MOs

Info

ID:

428609

PubChem CID:

135167789

Reduced:

N2O2H14C15 (1)

Stoich.:

A2B2C14D15 (1)

Weight, g/mol:

510.393377

ΔHf, kcal/mol:

-28.42

Dipole, Da:

2.53

IP(EA), eV:

 -9.22(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-[(3aR,7aS)-6-[2-(4-tert-butylphenyl)ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C=C1CCC(C(=O)N1)N2C(=C)C3=CC=CC=C3C2=O

DOS

IR

Vibrations