Geometry & MOs

Info

ID:	49150
PubChem CID:	11528764
Reduced:	SiO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	233.08635
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	5.77
IP(EA), eV:	-9.08(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6,6-difluoro-7-oxo-2,5-dihydroazepin-1-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C#C[Si](C)(C)C

DOS

IR

Vibrations