Geometry & MOs

Info

ID:	4437
PubChem CID:	11406
Reduced:	OC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	2.21
IP(EA), eV:	-10.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl benzoate

Drug info:

PubChemData

Smile

C=CCOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations