Geometry & MOs

Info

ID:	326177
PubChem CID:	126686938
Reduced:	INOF2C5H8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-145.88
Dipole, Da:	2.63
IP(EA), eV:	-10.36(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl carbonate

Drug info:

PubChemData

Smile

C(CNC(=O)CI)C(F)F

DOS

IR

Vibrations