Geometry & MOs

Info

ID:	154966
PubChem CID:	56314523
Reduced:	FO2N4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	419.218447
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	1.89
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CN3C=CC4=C3C=CC(=C4)OC

DOS

IR

Vibrations