Geometry & MOs

Info

ID:	45332
PubChem CID:	10511351
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	2.91
IP(EA), eV:	-9.97(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-2-ethyl-3,4-dimethylpent-4-enoate

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@H]([C@H](O1)C)OC(=O)C

DOS

IR

Vibrations