Geometry & MOs

Info

ID:	391551
PubChem CID:	135006451
Reduced:	NSiO2H13F15C27 (1)
Stoich.:	ABC2D13E15F27 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-676.0
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756568
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-formyl-2-methylidenedecanoate

Drug info:

PubChemData

Smile

C[N+](=CCC1=CC=CO1)CCO[Si](C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations