Geometry & MOs

Info

ID:	155943
PubChem CID:	56368411
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	449.192626
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	7.29
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3=CC=CC(=C3)COC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations