Geometry & MOs

Info

ID:	393840
PubChem CID:	135021808
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	3.74
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS,6S,7R,9aR)-3a,7-dimethyl-6-(2-oxopropyl)-1-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)[C@H]2[C@H]3[C@@H](C(=N2)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations