Geometry & MOs

Info

ID:	76635
PubChem CID:	48425174
Reduced:	F3N3O3C17H28 (1)
Stoich.:	A3B3C3D17E28 (1)
Weight, g/mol:	379.208276
ΔH_f, kcal/mol:	-312.06
Dipole, Da:	5.65
IP(EA), eV:	-8.91(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations