Geometry & MOs

Info

ID:	137864
PubChem CID:	52274529
Reduced:	F2N2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	355.247107
ΔH_f, kcal/mol:	-220.07
Dipole, Da:	5.87
IP(EA), eV:	-9.53(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylcarbamoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N)OC(F)F

DOS

IR

Vibrations