Geometry & MOs

Info

ID:	237126
PubChem CID:	92717587
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	406.175339
ΔH_f, kcal/mol:	-13.08
Dipole, Da:	6.56
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4S)-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(=NC(=N1)N2C3=NC(=O)C[C@@H](C3=C(N2)C)C4=CC=C(C=C4)OCC(=O)N)C

DOS

IR

Vibrations