Geometry & MOs

Info

ID:	336473
PubChem CID:	127255480
Reduced:	BNSO5C11H18 (1)
Stoich.:	ABCD5E11F18 (1)
Weight, g/mol:	283.131221
ΔH_f, kcal/mol:	-259.59
Dipole, Da:	4.69
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2S)-2-methylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)S(=O)(=O)N(CC)CC)OC)(O)O

DOS

IR

Vibrations