Geometry & MOs

Info

ID:	245534
PubChem CID:	99453689
Reduced:	ClN2F3O5H14C20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-258.35
Dipole, Da:	4.9
IP(EA), eV:	-9.27(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl-[3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoyl]amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)COC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)Cl)OC(F)F

DOS

IR

Vibrations