Geometry & MOs

Info

ID:	76716
PubChem CID:	48425279
Reduced:	O2F3N4C15H23 (1)
Stoich.:	A2B3C4D15E23 (1)
Weight, g/mol:	369.187541
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	6.36
IP(EA), eV:	-9.12(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-methyl-N-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)N2C=CN=C2

DOS

IR

Vibrations