Geometry & MOs

Info

ID:	76587
PubChem CID:	48425120
Reduced:	N2O2F3C20H29 (1)
Stoich.:	A2B2C3D20E29 (1)
Weight, g/mol:	381.223926
ΔH_f, kcal/mol:	-243.77
Dipole, Da:	4.24
IP(EA), eV:	-8.86(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations