Geometry & MOs

Info

ID:	293565
PubChem CID:	117393241
Reduced:	BrFNC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	-11.5
Dipole, Da:	3.7
IP(EA), eV:	-9.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-aminoprop-1-enyl]-4-bromo-2,6-dimethylphenol

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)CC#N)Br)F

DOS

IR

Vibrations