Geometry & MOs

Info

ID:	338905
PubChem CID:	127259916
Reduced:	ClO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	288.091707
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	1.52
IP(EA), eV:	-9.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)ethyl 3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)OC(CCl)C2=CC=CC=C2

DOS

IR

Vibrations