Geometry & MOs

Info

ID:	204365
PubChem CID:	79954289
Reduced:	NSO3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	196.1075
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	5.61
IP(EA), eV:	-8.01(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluorononan-4-one

Drug info:

PubChemData

Smile

CC1(CCSCC1NC2=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations