Geometry & MOs

Info

ID:	175668
PubChem CID:	75933854
Reduced:	OF3N3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	352.24003
ΔH_f, kcal/mol:	-137.11
Dipole, Da:	4.1
IP(EA), eV:	-8.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]-3-propan-2-yloxypropanamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCN(CC2)C)NC(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations