Geometry & MOs

Info

ID:	237693
PubChem CID:	92720874
Reduced:	OF2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	6.66
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C3=NC(=O)C[C@H](C3=C(N2)C)C4=C(C(=CC=C4)F)F)C

DOS

IR

Vibrations