Geometry & MOs

Info

ID:	373638
PubChem CID:	131318121
Reduced:	BrFNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	283.0008
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	3.03
IP(EA), eV:	-9.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)O)F)C2(CC2)CC#N

DOS

IR

Vibrations