Geometry & MOs

Info

ID:	408238
PubChem CID:	135081000
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	197.066363
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	3.83
IP(EA), eV:	-9.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,1,1-trifluoro-7-nitrohept-3-ene

Drug info:

PubChemData

Smile

CC1=CCC(CC1)[C@H](C)CC=O

DOS

IR

Vibrations