Geometry & MOs

Info

ID:	302509
PubChem CID:	124362006
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	61.12
Dipole, Da:	1.81
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](O[C@H](N1C)C#CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations