Geometry & MOs

Info

ID:	326355
PubChem CID:	126687379
Reduced:	NF3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	405.142633
ΔH_f, kcal/mol:	-281.76
Dipole, Da:	1.93
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-[2-(2,4-dichlorophenyl)propyl]-5-(4-fluorophenyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole

Drug info:

PubChemData

Smile

CC[C@@H]1CN(C[C@@H]1C[C@@H](CC2=CC=C(C=C2)C(F)(F)F)O)CC(C3=CC=C(C=C3)O)O

DOS

IR

Vibrations