Geometry & MOs

Info

ID:	378999
PubChem CID:	134228817
Reduced:	IH11C12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	398.179442
ΔH_f, kcal/mol:	87.97
Dipole, Da:	0.88
IP(EA), eV:	-9.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-cyclopropyl-3-(5,6-didehydronaphthalen-1-ylmethyl)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]imidazol-4-yl]ethenol

Drug info:

PubChemData

Smile

C=CCC1=CC=CC=C1CC#CI

DOS

IR

Vibrations