Geometry & MOs

Info

ID:	154963
PubChem CID:	56314520
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	418.274405
ΔH_f, kcal/mol:	-76.68
Dipole, Da:	6.19
IP(EA), eV:	-8.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-(2-oxoazocan-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=CC=C(NC3=O)C4=CC=CC=C4

DOS

IR

Vibrations