Geometry & MOs

Info

ID:	163089
PubChem CID:	57638341
Reduced:	FSN6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	79.56
Dipole, Da:	7.6
IP(EA), eV:	-8.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-(4-methoxyphenoxy)-5-methylpiperidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2F)C3=C(C=C(C=C3)/C=N/NC(=S)N)C#N

DOS

IR

Vibrations