Geometry & MOs

Info

ID:	390884
PubChem CID:	135001431
Reduced:	NOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	276.077342
ΔH_f, kcal/mol:	8.43
Dipole, Da:	3.06
IP(EA), eV:	-9.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(2,3,4,6-tetrafluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)/C=C/C(=C)C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations