Geometry & MOs

Info

ID:	26137
PubChem CID:	639195
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	1.53
IP(EA), eV:	-9.72(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5S)-7-hydroxy-5-methylhept-2-enoate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC(=C)C2(C1)CC2

DOS

IR

Vibrations