Geometry & MOs

Info

ID:	151867
PubChem CID:	56310689
Reduced:	N3O6C26H29 (1)
Stoich.:	A3B6C26D29 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-202.06
Dipole, Da:	9.05
IP(EA), eV:	-8.58(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations