Geometry & MOs

Info

ID:	252378
PubChem CID:	103110954
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	268.143645
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	4.22
IP(EA), eV:	-10.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CC2)CN

DOS

IR

Vibrations