Geometry & MOs

Info

ID:	288625
PubChem CID:	104321836
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	5.98
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)CSC3=CC=NC=C3)O

DOS

IR

Vibrations