Geometry & MOs

Info

ID:	76702
PubChem CID:	48425265
Reduced:	F3N3O3C20H26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	397.218841
ΔH_f, kcal/mol:	-272.85
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations