Geometry & MOs

Info

ID:	81048
PubChem CID:	49854288
Reduced:	N3O5C39H51 (1)
Stoich.:	A3B5C39D51 (1)
Weight, g/mol:	307.187147
ΔH_f, kcal/mol:	-175.27
Dipole, Da:	3.07
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCOC(=O)OCN1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations