Geometry & MOs

Info

ID:	4745
PubChem CID:	11961
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	5.09
IP(EA), eV:	-10.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propanoyl benzoate

Drug info:

PubChemData

Smile

CCC(=O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations