Geometry & MOs

Info

ID:

309438

PubChem CID:

126546262

Reduced:

N4C13H22 (1)

Stoich.:

A4B13C22 (1)

Weight, g/mol:

628.460394

ΔHf, kcal/mol:

8.64

Dipole, Da:

4.04

IP(EA), eV:

-9.03(-0.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[(3'R,3'aS,4aR,6'S,7'aR,9S,12aS,12bS)-3',6',6b,11,12b-pentamethyl-3-oxospiro[1,2,4,4a,5,6,6a,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl]ethyl]-N-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC=N1)NC2CCNCC2

DOS

IR

Vibrations