Geometry & MOs

Info

ID:	413049
PubChem CID:	135085993
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	350.070972
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	5.76
IP(EA), eV:	-9.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations