Geometry & MOs

Info

ID:	232954
PubChem CID:	87577807
Reduced:	PO7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-327.73
Dipole, Da:	5.13
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-2-methylpropan-2-yl) (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)CCOC1C(=CC=CO1)C2=CC=C(C=C2)O)OCC

DOS

IR

Vibrations