Geometry & MOs

Info

ID:	132387
PubChem CID:	51354276
Reduced:	FN3O11C28H36 (1)
Stoich.:	AB3C11D28E36 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-459.8
Dipole, Da:	6.23
IP(EA), eV:	-8.64(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methylphenyl)-1-(1,4,5-trimethylimidazol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)OCCF.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations