Geometry & MOs

Info

ID:	76622
PubChem CID:	48425159
Reduced:	F3O3N4C18H23 (1)
Stoich.:	A3B3C4D18E23 (1)
Weight, g/mol:	404.14784
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	2.87
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations