Geometry & MOs

Info

ID:	237125
PubChem CID:	92717560
Reduced:	O3N5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	406.175339
ΔH_f, kcal/mol:	11.43
Dipole, Da:	7.81
IP(EA), eV:	-8.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@H]3CC(=O)N=C4C3=C(NN4C5=NC(=CC(=N5)C)C)C)OC

DOS

IR

Vibrations