Geometry & MOs

Info

ID:	215918
PubChem CID:	85085442
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	1.96
IP(EA), eV:	-9.99(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2(CCCC2C=O)CC(=O)C1

DOS

IR

Vibrations