Geometry & MOs

Info

ID:	154969
PubChem CID:	56314527
Reduced:	FO2N4C24H31 (1)
Stoich.:	AB2C4D24E31 (1)
Weight, g/mol:	433.248918
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	3.79
IP(EA), eV:	-8.41(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations