Geometry & MOs

Info

ID:	429622
PubChem CID:	135169671
Reduced:	BrClN5C7H7 (1)
Stoich.:	ABC5D7E7 (1)
Weight, g/mol:	315.99597
ΔH_f, kcal/mol:	82.55
Dipole, Da:	2.94
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-quinolin-5-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C(=N2)Br)N)Cl

DOS

IR

Vibrations