Geometry & MOs

Info

ID:	355821
PubChem CID:	127290673
Reduced:	SO2N6C13H20 (1)
Stoich.:	AB2C6D13E20 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	9.04
Dipole, Da:	4.15
IP(EA), eV:	-8.66(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)S(=O)(=O)C3=CN(N=C3)C

DOS

IR

Vibrations