Geometry & MOs

Info

ID:	153617
PubChem CID:	56312886
Reduced:	F2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	1.88
IP(EA), eV:	-9.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NN(C(=O)CC1)CC2=CC=C(C=C2)F)C3=CC=CC=C3F

DOS

IR

Vibrations