Geometry & MOs

Info

ID:	367819
PubChem CID:	127325916
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-67.47
Dipole, Da:	10.44
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethyl)-6-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)N2CCSCC2C3=CC=CC=C3

DOS

IR

Vibrations