Geometry & MOs

Info

ID:	434903
PubChem CID:	135175941
Reduced:	ClON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	296.08881
ΔH_f, kcal/mol:	47.53
Dipole, Da:	4.59
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5E)-5-(2-bromo-3-methylbut-3-enylidene)-4-ethylidene-2-methyl-1-propan-2-ylimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CO)Cl

DOS

IR

Vibrations