Geometry & MOs

Info

ID:	237128
PubChem CID:	92717589
Reduced:	ON5H25C26 (1)
Stoich.:	AB5C25D26 (1)
Weight, g/mol:	423.20591
ΔH_f, kcal/mol:	79.69
Dipole, Da:	3.61
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-7-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-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