Geometry & MOs

Info

ID:	351654
PubChem CID:	127280721
Reduced:	ON6H12C13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	104.32
Dipole, Da:	4.05
IP(EA), eV:	-9.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1C2=NN(N=N2)CC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations