Geometry & MOs

Info

ID:	169797
PubChem CID:	75150505
Reduced:	FN3O3C12H13 (2)
Stoich.:	AB3C3D12E13 (2)
Weight, g/mol:	456.23437
ΔH_f, kcal/mol:	-278.72
Dipole, Da:	4.16
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(3-chloro-5-fluorophenyl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide

Drug info:

PubChemData

Smile

COC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3CCN(CC3)C(=O)CNC(=O)C4=CN=CC=C4)F

DOS

IR

Vibrations