Geometry & MOs

Info

ID:	437625
PubChem CID:	135226732
Reduced:	FO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	165.15175
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	5.85
IP(EA), eV:	-8.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CC5(C4)CN(C5)C6COC6)F)C#N

DOS

IR

Vibrations