Geometry & MOs

Info

ID:	326577
PubChem CID:	126687817
Reduced:	NF3O4C28H34 (1)
Stoich.:	AB3C4D28E34 (1)
Weight, g/mol:	358.186813
ΔH_f, kcal/mol:	-317.35
Dipole, Da:	3.87
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-ethyl-6-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=C(C=CC3=C2CC[C@H]3OC4=CC5=C(C=C4)[C@@H](CO5)CCC(O)O)C(F)(F)F

DOS

IR

Vibrations