Geometry & MOs

Info

ID:	195672
PubChem CID:	78720980
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	383.237291
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	8.61
IP(EA), eV:	-7.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

DOS

IR

Vibrations