Geometry & MOs

Info

ID:	121814
PubChem CID:	50782400
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	417.0688
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	2.69
IP(EA), eV:	-8.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromobenzoyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2F)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations