Geometry & MOs

Info

ID:	49935
PubChem CID:	11538253
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	386.154289
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	3.81
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-fluoro-4-methyl-5-(1-phenylpyrazolo[3,4-c]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1)CC2=CC(=C(C=C2)OCC3=NOC(=N3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations