Geometry & MOs

Info

ID:	288634
PubChem CID:	104322121
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-104.04
Dipole, Da:	3.26
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/C(=O)N2CC3CCC(C3C2)O

DOS

IR

Vibrations