Geometry & MOs

Info

ID:	245219
PubChem CID:	99437932
Reduced:	F2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	359.145676
ΔH_f, kcal/mol:	-141.37
Dipole, Da:	3.08
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)(F)F

DOS

IR

Vibrations