Geometry & MOs

Info

ID:	27273
PubChem CID:	820132
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	233.98505
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	4.34
IP(EA), eV:	-9.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-ethoxybenzoic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C(=O)N(C1=O)CC)C(=O)C)N

DOS

IR

Vibrations