Geometry & MOs

Info

ID:	32337
PubChem CID:	6436577
Reduced:	ClN2O4C30H33 (1)
Stoich.:	AB2C4D30E33 (1)
Weight, g/mol:	520.212885
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	3.29
IP(EA), eV:	-8.66(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;1-[3-(4-chlorophenyl)-3-phenylpropyl]-4-(3-methylphenyl)piperazine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations