Geometry & MOs

Info

ID:	57575
PubChem CID:	22425525
Reduced:	ClSN4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	236.017497
ΔH_f, kcal/mol:	95.51
Dipole, Da:	2.06
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-(4-methylphenyl)sulfanylpyridazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations