Geometry & MOs

Info

ID:	337653
PubChem CID:	127258276
Reduced:	NO8C23H35 (1)
Stoich.:	AB8C23D35 (1)
Weight, g/mol:	534.213279
ΔH_f, kcal/mol:	-343.12
Dipole, Da:	11.12
IP(EA), eV:	-9.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;2-[2-[2-[4-[[4-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol

Drug info:

PubChemData

Smile

CCCCNCC(COC1=C(C=C(C=C1)C(=O)C)COCCC)O.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations