Geometry & MOs

Info

ID:	225117
PubChem CID:	85741804
Reduced:	ClON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	5.22
IP(EA), eV:	-9.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a-hydroxy-9-methyl-2,3,6,7,8,9-hexahydro-1H-quinolizin-4-one

Drug info:

PubChemData

Smile

C1CC2C(C(C1)Cl)C(=O)NC(N2)C3=CC=CC=C3

DOS

IR

Vibrations