Geometry & MOs

Info

ID:	288678
PubChem CID:	104323374
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	293.118257
ΔH_f, kcal/mol:	-41.49
Dipole, Da:	8.15
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN3CC4CCC(C4C3)O

DOS

IR

Vibrations