Geometry & MOs

Info

ID:	139642
PubChem CID:	52574107
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	11.57
Dipole, Da:	5.68
IP(EA), eV:	-9.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC=C(C=C1)C#N)C(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations