Geometry & MOs

Info

ID:	125938
PubChem CID:	50944596
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	42.44
Dipole, Da:	6.74
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NCCNC(=O)NC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations