Geometry & MOs

Info

ID:	230537
PubChem CID:	87571286
Reduced:	N2O4C39H74 (1)
Stoich.:	A2B4C39D74 (1)
Weight, g/mol:	374.099312
ΔH_f, kcal/mol:	-270.49
Dipole, Da:	6.27
IP(EA), eV:	-9.68(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;2-(6-chloro-4-piperazin-1-ylpyridazin-3-yl)oxyethanol

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC(=O)NCCCN([C@@H]2[C@H](O2)CCCCCCCC)C(=O)CCCCCCC

DOS

IR

Vibrations