Geometry & MOs

Info

ID:	326184
PubChem CID:	126687009
Reduced:	ClFOSN6C19H22 (1)
Stoich.:	ABCDE6F19G22 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	4.77
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OSN1CCCC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations