Geometry & MOs

Info

ID:	28186
PubChem CID:	826104
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	5.46
IP(EA), eV:	-9.31(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-3-propyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])N(C)C

DOS

IR

Vibrations