Geometry & MOs

Info

ID:	122090
PubChem CID:	50793502
Reduced:	FN3O5H26C28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	347.14339
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	4.79
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC3=CC=CC=C3F)CC4=CC=C(C=C4)C(=O)NC5CC5)OC

DOS

IR

Vibrations