Geometry & MOs

Info

ID:	76420
PubChem CID:	48424901
Reduced:	NO3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	416.228677
ΔH_f, kcal/mol:	-192.41
Dipole, Da:	2.34
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylphenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCOC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations