Geometry & MOs

Info

ID:	144841
PubChem CID:	53422508
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	346.002716
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	1.59
IP(EA), eV:	-8.5(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2,4,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene

Drug info:

PubChemData

Smile

CCCC1(CCN(C1)C)C2=CC=CS2.C(=CC(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations