Geometry & MOs

Info

ID:	21119
PubChem CID:	587288
Reduced:	ClO3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	260.024022
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	2.69
IP(EA), eV:	-9.81(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-formylphenyl) 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations