Geometry & MOs

Info

ID:	402866
PubChem CID:	135057599
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-30.31
Dipole, Da:	3.73
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-2-[(dimethylamino)methyl]benzoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=CC=CC=C1N2C=CC=N2

DOS

IR

Vibrations