Geometry & MOs

Info

ID:	240603
PubChem CID:	93616700
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	16.92
Dipole, Da:	4.3
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-N-(3-ethynylphenyl)-2,6-dimethylmorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)NC2=CC=CC(=C2)C#C

DOS

IR

Vibrations