Geometry & MOs

Info

ID:	442604
PubChem CID:	135253300
Reduced:	ClFN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	305.048653
ΔH_f, kcal/mol:	21.78
Dipole, Da:	3.24
IP(EA), eV:	-8.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(4-chlorophenyl)-5-ethyl-3-methylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)F)C

DOS

IR

Vibrations