Geometry & MOs

Info

ID:	141553
PubChem CID:	52893511
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-81.87
Dipole, Da:	4.62
IP(EA), eV:	-8.39(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3

DOS

IR

Vibrations