Geometry & MOs

Info

ID:	88821
PubChem CID:	49957010
Reduced:	FCl2N2O3H17C22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	5.62
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)F)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations