Geometry & MOs

Info

ID:	430868
PubChem CID:	135170935
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	259.98105
ΔH_f, kcal/mol:	17.46
Dipole, Da:	4.99
IP(EA), eV:	-8.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations