Geometry & MOs

Info

ID:	75511
PubChem CID:	48423576
Reduced:	N2F3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-262.12
Dipole, Da:	7.96
IP(EA), eV:	-9.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(CN1CCCC1=O)C2=CC(=CC=C2)C(F)(F)F)OCC3CC3

DOS

IR

Vibrations