Geometry & MOs

Info

ID:	36717
PubChem CID:	8011779
Reduced:	O6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-204.8
Dipole, Da:	7.2
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1O)OC(=O)C=C2COC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations