Geometry & MOs

Info

ID:	392004
PubChem CID:	135011882
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	3.93
IP(EA), eV:	-9.05(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-2,2-dimethyl-4-oxopentanoic acid

Drug info:

PubChemData

Smile

COC(=C)C1(C2C3CC4C2C(C5C4C3C51)(C(=C)OC)O)O

DOS

IR

Vibrations