Geometry & MOs

Info

ID:	442606
PubChem CID:	135253303
Reduced:	ClN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	320.96684
ΔH_f, kcal/mol:	47.04
Dipole, Da:	2.74
IP(EA), eV:	-8.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC(=CNC1=CC(=NN1C2=CC=C(C=C2)Cl)C)CC

DOS

IR

Vibrations