Geometry & MOs

Info

ID:	121505
PubChem CID:	50771186
Reduced:	O3N5C24H37 (1)
Stoich.:	A3B5C24D37 (1)
Weight, g/mol:	497.266986
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	5.9
IP(EA), eV:	-7.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-chlorophenyl)piperazin-1-yl]-[1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCC(CC4)C

DOS

IR

Vibrations