Geometry & MOs

Info

ID:	326339
PubChem CID:	126687358
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	404.246378
ΔH_f, kcal/mol:	-105.09
Dipole, Da:	4.03
IP(EA), eV:	-9.58(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(3aS,6aR)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C(O[C@@H]2C1)O)C

DOS

IR

Vibrations