Geometry & MOs

Info

ID:	82062
PubChem CID:	49855545
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	346.141192
ΔH_f, kcal/mol:	-158.0
Dipole, Da:	2.61
IP(EA), eV:	-9.22(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3,3-difluoroprop-2-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CCCOCC2=CC=CC=C2

DOS

IR

Vibrations