Geometry & MOs

Info

ID:	351659
PubChem CID:	127280726
Reduced:	OF3N5C17H26 (1)
Stoich.:	AB3C5D17E26 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-196.17
Dipole, Da:	3.94
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-cyclohexylpyrrolidin-1-yl)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)CC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations