Geometry & MOs

Info

ID:	133987
PubChem CID:	51622765
Reduced:	ClF2N2O2H15C17 (1)
Stoich.:	AB2C2D2E15F17 (1)
Weight, g/mol:	425.105481
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	8.8
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC(=O)NC1=CC(=C(C=C1)F)F)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations