Geometry & MOs

Info

ID:	440661
PubChem CID:	135230840
Reduced:	ClO2N3F4H20C22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	431.127966
ΔH_f, kcal/mol:	-259.42
Dipole, Da:	6.54
IP(EA), eV:	-8.95(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)C2=CN(C(=O)N2)C3=CC=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations