Geometry & MOs

Info

ID:	76667
PubChem CID:	48425216
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	396.17731
ΔH_f, kcal/mol:	-192.93
Dipole, Da:	5.65
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC(=CC=C2)N3C=CC=C3

DOS

IR

Vibrations