Geometry & MOs

Info

ID:	122118
PubChem CID:	50795158
Reduced:	NO3H11C13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	351.217144
ΔH_f, kcal/mol:	-147.8
Dipole, Da:	2.54
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=C(C3=CC=CC=C3OC2=O)NCC4=CC=CC=C4)OC

DOS

IR

Vibrations