Geometry & MOs

Info

ID:	387171
PubChem CID:	134984281
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	227.042987
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	3.93
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(furan-2-yl)-2-nitro-3-oxopropanoate

Drug info:

PubChemData

Smile

CCCC(CCC)(N=O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations