Geometry & MOs

Info

ID:	30968
PubChem CID:	854013
Reduced:	NS2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	337.02146
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	2.05
IP(EA), eV:	-9.56(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-methyl-4-phenyl-2H-pyrazolo[3,4-b]quinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)SC#N

DOS

IR

Vibrations