Geometry & MOs

Info

ID:	435287
PubChem CID:	135187775
Reduced:	FNSO4H16C24 (1)
Stoich.:	ABCD4E16F24 (1)
Weight, g/mol:	344.144868
ΔH_f, kcal/mol:	-96.41
Dipole, Da:	4.78
IP(EA), eV:	-9.57(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-[1-[4-(difluoromethyl)phenyl]ethyl]-6-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C=C3C(=O)N(C(=S)O3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations