Geometry & MOs

Info

ID:	21593
PubChem CID:	589108
Reduced:	NO7C10H17 (1)
Stoich.:	AB7C10D17 (1)
Weight, g/mol:	263.100502
ΔH_f, kcal/mol:	-251.95
Dipole, Da:	5.49
IP(EA), eV:	-10.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-hydroxy-3-(2-nitroethyl)butanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations