Geometry & MOs

Info

ID:	165462
PubChem CID:	74552823
Reduced:	ON4C27H37 (1)
Stoich.:	AB4C27D37 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	28.42
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121701
Charge, e:	0

Chem-info

IUPAC name:

6-methylidene-2-propylquinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations