Geometry & MOs

Info

ID:	152017
PubChem CID:	56310862
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-187.86
Dipole, Da:	3.58
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]ethoxy]benzoate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations