Geometry & MOs

Info

ID:	125959
PubChem CID:	50945837
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	430.097873
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	5.89
IP(EA), eV:	-8.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine

Drug info:

PubChemData

Smile

CCC1=NC(=C2C3=C(CCC3)SC2=N1)NCC4CCCO4

DOS

IR

Vibrations