Geometry & MOs

Info

ID:	406291
PubChem CID:	135077130
Reduced:	F2N2O2C13H20 (1)
Stoich.:	A2B2C2D13E20 (1)
Weight, g/mol:	259.98482
ΔH_f, kcal/mol:	-191.95
Dipole, Da:	4.71
IP(EA), eV:	-10.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-bromo-2-fluoroethenyl]-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(/C=C/C#N)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations