Geometry & MOs

Info

ID:	24047
PubChem CID:	607530
Reduced:	ClOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	232.005785
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	0.82
IP(EA), eV:	-10.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(dichloromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations