Geometry & MOs

Info

ID:	401974
PubChem CID:	135053645
Reduced:	BrON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	374.09938
ΔH_f, kcal/mol:	4.41
Dipole, Da:	6.36
IP(EA), eV:	-9.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3-dec-1-ynyl-6-methyl-1H-cinnolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC2=C(O1)C3=C(C(=CC(=C3)C)Br)N=N2

DOS

IR

Vibrations