Geometry & MOs

Info

ID:	28206
PubChem CID:	826273
Reduced:	NC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	2.86
IP(EA), eV:	-7.96(2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethoxy-2-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@]12C[C@@](CNC1)(CN(C2)C)C

DOS

IR

Vibrations