Geometry & MOs

Info

ID:	412907
PubChem CID:	135085844
Reduced:	KNO4H6C8 (1)
Stoich.:	ABC4D6E8 (1)
Weight, g/mol:	213.97934
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	13.15
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-2-fluoroethenyl)-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)[O-])[N+](=O)[O-].[K+]

DOS

IR

Vibrations