Geometry & MOs

Info

ID:	315852
PubChem CID:	126629078
Reduced:	N4O6C29H36 (1)
Stoich.:	A4B6C29D36 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-211.34
Dipole, Da:	5.59
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[4-(3-ethylphenyl)phenoxy]propanoate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)OC(C3=CC=CC(=C3)C4=CC=C(C=C4)OCC(=O)N[C@H](C(=O)N1)C(C)C)C

DOS

IR

Vibrations