Geometry & MOs

Info

ID:	333914
PubChem CID:	127252466
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	382.262028
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	5.86
IP(EA), eV:	-8.77(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,9aS)-3a-methyl-1-(1-phenylcyclopentanecarbonyl)-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1CC[C@@]2([C@H]1CCCCC(=O)N2)C

DOS

IR

Vibrations