Geometry & MOs

Info

ID:	121803
PubChem CID:	50781950
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	2.35
IP(EA), eV:	-8.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethylpiperazin-1-yl)-2-[(3-methylbenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)C(=O)O

DOS

IR

Vibrations