Geometry & MOs

Info

ID:	347733
PubChem CID:	127272795
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	48.41
Dipole, Da:	5.03
IP(EA), eV:	-8.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(4,4-dimethylpiperidin-1-yl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)SC(=N2)N3CCC(CC3)(C)C

DOS

IR

Vibrations