Geometry & MOs

Info

ID:	288633
PubChem CID:	104322097
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	5.55
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=CSC=C3)O

DOS

IR

Vibrations