Geometry & MOs

Info

ID:	337125
PubChem CID:	127256690
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	1.37
IP(EA), eV:	-8.4(3.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCN2CCCC[C@H]2C1

DOS

IR

Vibrations