Geometry & MOs

Info

ID:	387172
PubChem CID:	134984284
Reduced:	NO6C9H9 (1)
Stoich.:	AB6C9D9 (1)
Weight, g/mol:	195.029835
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	6.93
IP(EA), eV:	-10.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-3-nitrobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=CC=CO1)[N+](=O)[O-]

DOS

IR

Vibrations