Geometry & MOs

Info

ID:	237127
PubChem CID:	92717588
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	423.20591
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	8.23
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-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=NC(=O)C[C@H](C3=C(N2)C)C4=CC=C(C=C4)OCC(=O)N)C

DOS

IR

Vibrations