Geometry & MOs

Info

ID:	389459
PubChem CID:	134993084
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-196.02
Dipole, Da:	2.9
IP(EA), eV:	-10.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-5-hydroxy-2-methylpent-3-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCCC1=CC(=O)C[C@@H]1O

DOS

IR

Vibrations