Geometry & MOs

Info

ID:	150077
PubChem CID:	53789763
Reduced:	BrN4H21C24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	116.39
Dipole, Da:	3.6
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-diethyl-2,3,5,7,8-pentamethylquinolin-4-one

Drug info:

PubChemData

Smile

CCCC1=NC2=C(C(=C(N=C2N1C3=CC=C(C=C3)C4=CC=CC=C4C#N)C)Br)C

DOS

IR

Vibrations