Geometry & MOs

Info

ID:	337778
PubChem CID:	127258401
Reduced:	NO6C16H29 (1)
Stoich.:	AB6C16D29 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-281.36
Dipole, Da:	3.85
IP(EA), eV:	-9.42(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxy-3,3-dimethylhex-5-enoxy)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC/C=C/COC(=O)CCC(=O)OCCN(CCO)CCO

DOS

IR

Vibrations