Geometry & MOs

Info

ID:	172534
PubChem CID:	75522661
Reduced:	NF3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-276.41
Dipole, Da:	3.8
IP(EA), eV:	-8.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(dimethylamino)pyridin-4-yl]methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)NC(=O)CC(F)(F)F)OC

DOS

IR

Vibrations