Geometry & MOs

Info

ID:	295976
PubChem CID:	117548806
Reduced:	ClO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-78.98
Dipole, Da:	6.23
IP(EA), eV:	-10.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-propyloxetan-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(CO1)(/C=C/C(=O)O)C2=CC=CC=C2Cl

DOS

IR

Vibrations