Geometry & MOs

Info

ID:	395704
PubChem CID:	135026286
Reduced:	N2F3H7C12 (1)
Stoich.:	A2B3C7D12 (1)
Weight, g/mol:	304.149471
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	2.17
IP(EA), eV:	-9.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxo-5-phenylpent-2-enal

Drug info:

PubChemData

Smile

[C-]#[N+]C1=C(C=CC(=C1)C(F)(F)F)N2C=CC=C2

DOS

IR

Vibrations