Geometry & MOs

Info

ID:	333913
PubChem CID:	127252465
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	3.68
IP(EA), eV:	-8.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9aR)-3a-methyl-1-propyl-2,3,4,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@]12CN(CC[C@@H]1CN(C2)C(=O)C3=NC=CC4=CC=CC=C43)C

DOS

IR

Vibrations