Geometry & MOs

Info

ID:	178652
PubChem CID:	76362925
Reduced:	FN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	336.144009
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	1.08
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-6-(trimethylsilylmethylsulfanyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(C(C1)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F)N4C=CC=N4

DOS

IR

Vibrations