Geometry & MOs

Info

ID:	152183
PubChem CID:	56311055
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-94.57
Dipole, Da:	2.41
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-oxo-3-(1-phenylethylamino)propyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC=CC=C2Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations