Geometry & MOs

Info

ID:	326336
PubChem CID:	126687352
Reduced:	OH10C14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	31.46
Dipole, Da:	3.1
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3C=CC=CC3C2=O)C4C5=CC=CC=C5C(=O)C6=CC=CC=C46

DOS

IR

Vibrations