Geometry & MOs

Info

ID:	26225
PubChem CID:	641408
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-134.25
Dipole, Da:	3.03
IP(EA), eV:	-9.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-3-methoxy-2-methyl-4-phenylbutanoate

Drug info:

PubChemData

Smile

COC(=O)C([C@H](C=C)C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations