Geometry & MOs

Info

ID:	337121
PubChem CID:	127256686
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	3.76
IP(EA), eV:	-8.84(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2[C@H](C1)CC(=O)C[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations