Geometry & MOs

Info

ID:	444448
PubChem CID:	135262465
Reduced:	ClNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	285.91447
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	2.47
IP(EA), eV:	-9.06(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-chloro-5-nitroquinoline

Drug info:

PubChemData

Smile

CCSC1=C2C=CC=NC2=C(C=C1C(=O)OC)Cl

DOS

IR

Vibrations