Geometry & MOs

Info

ID:	32392
PubChem CID:	7757433
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	5.59
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C#N)OC

DOS

IR

Vibrations