Geometry & MOs

Info

ID:	230301
PubChem CID:	87570616
Reduced:	O3C11H12 (2)
Stoich.:	A3B11C12 (2)
Weight, g/mol:	164.024022
ΔH_f, kcal/mol:	-239.55
Dipole, Da:	1.18
IP(EA), eV:	-8.5(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-2-hydroxypropyl) prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)C4=C(C=CC(=C4O)O)O)C5=C(C=CC(=C5O)O)O

DOS

IR

Vibrations