Geometry & MOs

Info

ID:	425626
PubChem CID:	135127028
Reduced:	ClF3H12C15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-121.72
Dipole, Da:	3.42
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,3E)-3-prop-2-enylidenehept-4-en-2-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1)F)C2=C(C=C(C=C2)F)Cl)F

DOS

IR

Vibrations