Geometry & MOs

Info

ID:	145630
PubChem CID:	53560550
Reduced:	NF3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	324.069927
ΔH_f, kcal/mol:	-267.08
Dipole, Da:	3.1
IP(EA), eV:	-8.76(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CC2)C(=O)NC(C)COCC(F)(F)F)OC

DOS

IR

Vibrations