Geometry & MOs

Info

ID:	14481
PubChem CID:	412761
Reduced:	ClN2O3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	342.17102
ΔH_f, kcal/mol:	-136.73
Dipole, Da:	1.6
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 3-amino-2-butoxy-5-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1N)Cl)C(=O)OCCN(CC)CC

DOS

IR

Vibrations