Geometry & MOs

Info

ID:	343571
PubChem CID:	127266744
Reduced:	NO3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	329.128803
ΔH_f, kcal/mol:	-159.8
Dipole, Da:	5.59
IP(EA), eV:	-9.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(3-fluoroquinoxalin-2-yl)amino]ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

COCCOCCCNC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations