Geometry & MOs

Info

ID:

151332

PubChem CID:

53801085

Reduced:

NO6C22H25 (2)

Stoich.:

AB6C22D25 (2)

Weight, g/mol:

478.355929

ΔHf, kcal/mol:

-395.18

Dipole, Da:

6.81

IP(EA), eV:

 -8.22(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,3bS,9aS,9bS,11aS)-N-(2-adamantyl)-N,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)N=C2C3=C(C4=C(C2=O)C(=C(C5=C4C(=O)C(O5)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)NC6=C(O3)C=C(C=C6)C)C

DOS

IR

Vibrations