Geometry & MOs

Info

ID:	237131
PubChem CID:	92717593
Reduced:	O2N5C27H27 (1)
Stoich.:	A2B5C27D27 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	40.84
Dipole, Da:	2.04
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-7-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-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=C5OC)C(=N2)C)C

DOS

IR

Vibrations