Geometry & MOs

Info

ID:	380499
PubChem CID:	134970963
Reduced:	N2O3C19H34 (1)
Stoich.:	A2B3C19D34 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-131.01
Dipole, Da:	2.65
IP(EA), eV:	-8.41(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-ethyl-3,5-dihydroxyoct-7-en-4-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=NN2CCC[C@H]2COC)[C@](OC(O1)(C)C)(CC)CC=C

DOS

IR

Vibrations