Geometry & MOs

Info

ID:	302510
PubChem CID:	124362019
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	307.133907
ΔH_f, kcal/mol:	-123.98
Dipole, Da:	2.0
IP(EA), eV:	-8.6(0.96)
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 2-chlorobenzoate

Drug info:

PubChemData

Smile

C1CCN2CCC[C@@H]([C@@H]2C1)COC(=O)C3CCCC3

DOS

IR

Vibrations