Geometry & MOs

Info

ID:	47757
PubChem CID:	10535150
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	4.0
IP(EA), eV:	-10.22(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-methyl-4-(2-oxoethyl)hex-5-enoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CCC[C@]2([C@H]1O2)C

DOS

IR

Vibrations