Geometry & MOs

Info

ID:	328110
PubChem CID:	126692097
Reduced:	F2O2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	403.181981
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	6.85
IP(EA), eV:	-9.55(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-difluorocyclohexyl)-6-[(1R)-2-(4,5-dimethyl-1,3-oxazol-2-yl)cyclobutyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)[C@@H]2CCC2C3=NC(=O)C4=CNN(C4=N3)C5CCC(CC5)(F)F

DOS

IR

Vibrations