Geometry & MOs

Info

ID:	314651
PubChem CID:	126622553
Reduced:	F2N2O5C18H22 (1)
Stoich.:	A2B2C5D18E22 (1)
Weight, g/mol:	184.045506
ΔH_f, kcal/mol:	-314.36
Dipole, Da:	5.3
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[(E)-3-fluorobut-2-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC=CC(=C2F)C(=O)OC)F

DOS

IR

Vibrations