Geometry & MOs

Info

ID:	181236
PubChem CID:	76719765
Reduced:	ON6C31H38 (1)
Stoich.:	AB6C31D38 (1)
Weight, g/mol:	528.234825
ΔH_f, kcal/mol:	65.39
Dipole, Da:	3.01
IP(EA), eV:	-8.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)-4H-imidazol-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(C1)CC(=O)N2CCN(CC2CC3=CC=CC=C3)C4=CC5=C(C=C4)C(=NN5C6CCC6)C(C)C

DOS

IR

Vibrations