Geometry & MOs

Info

ID:	341079
PubChem CID:	127263514
Reduced:	ClNC7H16 (1)
Stoich.:	ABC7D16 (1)
Weight, g/mol:	322.026728
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	3.49
IP(EA), eV:	-9.09(1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-[(3R)-piperidin-3-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCNC1.Cl

DOS

IR

Vibrations