Geometry & MOs

Info

ID:	445005
PubChem CID:	135264254
Reduced:	PO3N5C29H38 (1)
Stoich.:	AB3C5D29E38 (1)
Weight, g/mol:	370.271919
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	9.83
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-[(1,4-diethyl-2,3-dihydroquinoxalin-6-yl)diazenyl]-3-methylimidazol-3-ium-1-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1(C(=NC2=C(N=CN=C2O1)N)C3=CCC(C=C3)C4CCC(CC4)CP(=O)(C5=CC=C(C=C5)N(C)C)O)C

DOS

IR

Vibrations