Geometry & MOs

Info

ID:	392713
PubChem CID:	135017718
Reduced:	N2F3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	508.282898
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	6.31
IP(EA), eV:	-9.46(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-triethylsilyloxyhept-2-ynal

Drug info:

PubChemData

Smile

CN1CCC2=C(CC2=CC1(C(=O)OC)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations