Geometry & MOs

Info

ID:	397469
PubChem CID:	135030254
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	330.124252
ΔH_f, kcal/mol:	104.41
Dipole, Da:	8.0
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(5E)-5-benzylidene-1-(3-phenylprop-2-ynyl)-4H-imidazol-2-yl]methylidene-dioxidoazanium

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=CC=C2)/N(/C(=C/[N+](=O)[O-])/N1)CC#CC3=CC=CC=C3

DOS

IR

Vibrations