Geometry & MOs

Info

ID:	322641
PubChem CID:	126670712
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	146.057909
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	3.56
IP(EA), eV:	-8.99(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybut-3-en-2-yl 2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCCN(C1=O)C2=CC=CC=C2F

DOS

IR

Vibrations