Geometry & MOs

Info

ID:	326240
PubChem CID:	126687218
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	365.235479
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	0.69
IP(EA), eV:	-9.04(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2-[2-(4-hydroxyphenyl)propyl]-5-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CCC[C@H]([C@@H](CC(CC)C=C)OC)NC

DOS

IR

Vibrations