Geometry & MOs

Info

ID:	122114
PubChem CID:	50794993
Reduced:	O2N3C9H11 (2)
Stoich.:	A2B3C9D11 (2)
Weight, g/mol:	353.232794
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	5.04
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[2-(diethylamino)ethyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N2C(=N1)N=C(N2)C)NC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations