Geometry & MOs

Info

ID:	76739
PubChem CID:	48425311
Reduced:	O2F3N3C17H24 (1)
Stoich.:	A2B3C3D17E24 (1)
Weight, g/mol:	365.192626
ΔH_f, kcal/mol:	-232.14
Dipole, Da:	4.17
IP(EA), eV:	-8.86(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations