Geometry & MOs

Info

ID:	32334
PubChem CID:	6436559
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	520.212885
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	1.72
IP(EA), eV:	-8.78(0.24)
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-(4-methylphenyl)piperazine

Drug info:

PubChemData

Smile

CC(C(=C)/C=C/C=C(C)C)O

DOS

IR

Vibrations