Geometry & MOs

Info

ID:	288590
PubChem CID:	104320920
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	3.46
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C#N)N2CC3CCC(C3C2)O)O

DOS

IR

Vibrations