Geometry & MOs

Info

ID:	328197
PubChem CID:	126697536
Reduced:	BrFNO4H5C8 (1)
Stoich.:	ABCD4E5F8 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	5.59
IP(EA), eV:	-10.82(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-bromopropan-2-yl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])F)Br

DOS

IR

Vibrations