Geometry & MOs

Info

ID:	22340
PubChem CID:	596791
Reduced:	ON5C6H7 (1)
Stoich.:	AB5C6D7 (1)
Weight, g/mol:	165.06506
ΔH_f, kcal/mol:	36.58
Dipole, Da:	3.85
IP(EA), eV:	-8.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=NNC2=NC=NC(=C21)N

DOS

IR

Vibrations