Geometry & MOs

Info

ID:	326326
PubChem CID:	126687335
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-184.16
Dipole, Da:	1.34
IP(EA), eV:	-9.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-[hydroxy-(4-methoxyanilino)methyl]-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CN1C[C@@H]([C@@H](C1)CC(=O)O)CC(=O)O

DOS

IR

Vibrations