Geometry & MOs

Info

ID:	148332
PubChem CID:	53787994
Reduced:	F2N5O6H23C31 (1)
Stoich.:	A2B5C6D23E31 (1)
Weight, g/mol:	284.214016
ΔH_f, kcal/mol:	-138.71
Dipole, Da:	8.08
IP(EA), eV:	-8.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,7-dimethylnona-1,3,5,7-tetraenyl)-2,4,4-trimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC4=CC=CC(=C4)C=CC(=O)O)F)OC5=CC(=C(N)N)C=CC5=O

DOS

IR

Vibrations