Geometry & MOs

Info

ID:	338904
PubChem CID:	127259915
Reduced:	ClNO4C24H36 (1)
Stoich.:	ABC4D24E36 (1)
Weight, g/mol:	288.091707
ΔH_f, kcal/mol:	-227.84
Dipole, Da:	4.86
IP(EA), eV:	-9.31(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-1-phenylethyl) 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCC(CCC(COC(=O)CCC1=CC=CC=C1)C(=O)CCCNC(=O)C)Cl

DOS

IR

Vibrations