Geometry & MOs

Info

ID:	226727
PubChem CID:	87557869
Reduced:	NH27C30 (1)
Stoich.:	AB27C30 (1)
Weight, g/mol:	330.21705
ΔH_f, kcal/mol:	84.61
Dipole, Da:	2.53
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10E,13E,16E)-1,1,1-trifluorononadeca-10,13,16-trien-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=N)C2=C(C=CC3=CC=CC=C32)C4=CC=CC5=C4CC6=CC=CC=C65

DOS

IR

Vibrations