Geometry & MOs

Info

ID:	399854
PubChem CID:	135043147
Reduced:	NO4C6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	224.194029
ΔH_f, kcal/mol:	-177.24
Dipole, Da:	2.82
IP(EA), eV:	-10.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-3-fluoro-3,7,11-trimethyldodeca-1,6,10-triene

Drug info:

PubChemData

Smile

CC(=O)NCC1COC(=O)O1

DOS

IR

Vibrations