Geometry & MOs

Info

ID:	21167
PubChem CID:	587402
Reduced:	ClO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	272.060407
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	1.63
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylprop-2-enyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCOC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations