Geometry & MOs

Info

ID:	344828
PubChem CID:	127268468
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	6.47
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(cyclohexylmethylsulfonyl)piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CN(C1CCC2=CC=CC=C12)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations