Geometry & MOs

Info

ID:	407405
PubChem CID:	135080032
Reduced:	N2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	5.51
IP(EA), eV:	-9.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E)-6-oxohex-4-enoate

Drug info:

PubChemData

Smile

CC(=C)CN1C=NC2=C1C=C(C=C2)C(F)(F)F

DOS

IR

Vibrations