Geometry & MOs

Info

ID:	446699
PubChem CID:	135277003
Reduced:	BrF2N2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	259.98482
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	3.14
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)Br)C2C3=C(CCN2CC(F)F)C4=CC=CC=C4N3

DOS

IR

Vibrations