Geometry & MOs

Info

ID:	50893
PubChem CID:	12013484
Reduced:	BrN2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-51.11
Dipole, Da:	5.97
IP(EA), eV:	-9.94(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(C(=C2C1)C(=O)O)C(=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations