Geometry & MOs

Info

ID:	356619
PubChem CID:	127291845
Reduced:	SO3N6C17H22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	1.61
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations