Geometry & MOs

Info

ID:	260104
PubChem CID:	103181377
Reduced:	ClNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	301.096165
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	3.32
IP(EA), eV:	-9.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropoxy)ethyl 3-fluoro-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)OCCOCCCOC)Cl

DOS

IR

Vibrations