Geometry & MOs

Info

ID:	76451
PubChem CID:	48424942
Reduced:	O2F3N4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	364.143234
ΔH_f, kcal/mol:	-171.51
Dipole, Da:	5.42
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylthiophen-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN(C3=CC=CC=C32)CC#N

DOS

IR

Vibrations