Geometry & MOs

Info

ID:	151958
PubChem CID:	56310791
Reduced:	SN2O3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-84.52
Dipole, Da:	8.84
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2-methoxyphenoxy)ethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations