Geometry & MOs

Info

ID:	76461
PubChem CID:	48424954
Reduced:	ClO2F3N4C16H24 (1)
Stoich.:	AB2C3D4E16F24 (1)
Weight, g/mol:	414.213027
ΔH_f, kcal/mol:	-229.81
Dipole, Da:	4.79
IP(EA), eV:	-9.06(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenyloxan-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CCCOCC(F)(F)F)C)Cl

DOS

IR

Vibrations