Geometry & MOs

Info

ID:	237129
PubChem CID:	92717590
Reduced:	ON5H25C26 (1)
Stoich.:	AB5C25D26 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	80.9
Dipole, Da:	3.07
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3,7-dimethyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C3=C([C@@H](CC(=O)N3CC4=CC=CC=C4)C5=CC=CC=C5)C(=N2)C)C

DOS

IR

Vibrations