Geometry & MOs

Info

ID:	30025
PubChem CID:	838961
Reduced:	ClNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-20.11
Dipole, Da:	2.81
IP(EA), eV:	-9.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 3-propanoylbenzoate

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations