Geometry & MOs

Info

ID:	13879
PubChem CID:	399540
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	3.32
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)OCC2=NC3=CC=CC=C3N4C2=CC=C4

DOS

IR

Vibrations