Geometry & MOs

Info

ID:	237692
PubChem CID:	92720849
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	369.140117
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	3.93
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1[C@@H]3C(=C(NC(=O)N3)C)C(=O)OCC

DOS

IR

Vibrations