Geometry & MOs

Info

ID:	76603
PubChem CID:	48425136
Reduced:	F3N3O4C19H26 (1)
Stoich.:	A3B3C4D19E26 (1)
Weight, g/mol:	395.239576
ΔH_f, kcal/mol:	-322.86
Dipole, Da:	5.12
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations