Geometry & MOs

Info

ID:	194458
PubChem CID:	78539911
Reduced:	BrNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	347.080515
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	3.93
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-[1-(4-fluorophenyl)ethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations