Geometry & MOs

Info

ID:	155107
PubChem CID:	56320694
Reduced:	FO2N5C26H32 (1)
Stoich.:	AB2C5D26E32 (1)
Weight, g/mol:	443.25842
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	1.78
IP(EA), eV:	-8.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=C(C=CC(=C3)F)N4CCN(CC4)C

DOS

IR

Vibrations