Geometry & MOs

Info

ID:	203387
PubChem CID:	79822230
Reduced:	ON6H8C10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	214.060309
ΔH_f, kcal/mol:	91.43
Dipole, Da:	5.84
IP(EA), eV:	-9.57(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrimidin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=CNN(C2=N1)C3=NC=NC=C3

DOS

IR

Vibrations