Geometry & MOs

Info

ID:	76449
PubChem CID:	48424938
Reduced:	O2F3N4C16H25 (1)
Stoich.:	A2B3C4D16E25 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-220.28
Dipole, Da:	2.52
IP(EA), eV:	-8.93(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations