Geometry & MOs

Info

ID:	326201
PubChem CID:	126687068
Reduced:	ClFON7C19H21 (1)
Stoich.:	ABCD7E19F21 (1)
Weight, g/mol:	373.201734
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	2.7
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-phenyl-2-[2-[3-(trifluoromethyl)phenyl]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

Drug info:

PubChemData

Smile

CNC(=O)N1CCC[C@@H](C1)CNC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations