Geometry & MOs

Info

ID:	382500
PubChem CID:	134973705
Reduced:	LiO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	31.04
IP(EA), eV:	-5.73(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1R)-1-(2,4,6-trimethylphenyl)ethoxy]prop-2-enoate

Drug info:

PubChemData

Smile

[Li+].CCOC(=O)C=[C-]O[C@H](C)C1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations