Geometry & MOs

Info

ID:	151767
PubChem CID:	56310561
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-132.74
Dipole, Da:	5.27
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2CCCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations