Geometry & MOs

Info

ID:	227522
PubChem CID:	87561919
Reduced:	NO4F6C10H17 (1)
Stoich.:	AB4C6D10E17 (1)
Weight, g/mol:	416.257612
ΔH_f, kcal/mol:	-501.11
Dipole, Da:	4.79
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1-(1H-imidazol-2-yl)-9-(3-imidazol-1-yl-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-one

Drug info:

PubChemData

Smile

CCN(CC)CC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations