Geometry & MOs

Info

ID:	326324
PubChem CID:	126687332
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	372.160456
ΔH_f, kcal/mol:	-175.05
Dipole, Da:	3.47
IP(EA), eV:	-10.3(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[(4-chlorophenyl)methyl]-2-[2-(5-hydroxypyridin-2-yl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CC1CC[C@H](C(C1)OC(=O)N)C(C)O

DOS

IR

Vibrations