Geometry & MOs

Info

ID:	39666
PubChem CID:	8141802
Reduced:	F2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	388.223631
ΔH_f, kcal/mol:	-219.75
Dipole, Da:	4.76
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations