Geometry & MOs

Info

ID:	264768
PubChem CID:	103489447
Reduced:	ClN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	241.111422
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	2.99
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxypropan-2-yl 4-amino-2-fluorobenzoate

Drug info:

PubChemData

Smile

CCOCC(C)OC1=NC(=CN=C1)CCl

DOS

IR

Vibrations