Geometry & MOs

Info

ID:	121809
PubChem CID:	50782024
Reduced:	ClN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	3.11
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3-methylbutanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4Cl)C(=O)O

DOS

IR

Vibrations