Geometry & MOs

Info

ID:	283674
PubChem CID:	103997794
Reduced:	BrON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	14.25
Dipole, Da:	4.78
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,3-dihydro-1H-isoindole

Drug info:

PubChemData

Smile

C1C2=C(CN1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations