Geometry & MOs

Info

ID:	288651
PubChem CID:	104322992
Reduced:	BrNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	3.83
IP(EA), eV:	-7.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC3=CC4=C(C=C3Br)OCCO4)O

DOS

IR

Vibrations