Geometry & MOs

Info

ID:	184868
PubChem CID:	77221439
Reduced:	SO2C27H42 (1)
Stoich.:	AB2C27D42 (1)
Weight, g/mol:	257.91955
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	4.94
IP(EA), eV:	-9.0(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-chloro-4aH-cinnolin-4-one

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCCCSC1CCC1(CC)C(=O)O

DOS

IR

Vibrations