Geometry & MOs

Info

ID:	25392
PubChem CID:	624014
Reduced:	Br2N2O7H10C15 (1)
Stoich.:	A2B2C7D10E15 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	5.48
IP(EA), eV:	-9.53(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-2-(2-methyl-5-nitrophenyl)quinoline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations