Geometry & MOs

Info

ID:	221101
PubChem CID:	85256815
Reduced:	NO3H4C6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	276.120903
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	5.08
IP(EA), eV:	-10.26(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] but-2-enedioate

Drug info:

PubChemData

Smile

C1=CC(=CC2=NC(=O)C(C=C21)C(=O)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations