Geometry & MOs

Info

ID:	348626
PubChem CID:	127273737
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-6.38
Dipole, Da:	9.29
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1=NS(=O)(=O)C2=CC=CC=C2N1)C(C3CC3)C4CC4

DOS

IR

Vibrations