Geometry & MOs

Info

ID:	264417
PubChem CID:	103459872
Reduced:	BrFO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	210.153227
ΔH_f, kcal/mol:	-140.41
Dipole, Da:	3.14
IP(EA), eV:	-9.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2,2-dimethylbutyl)-4-fluorobenzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC(CC)C(C(C1=C(C=CC(=C1)Br)F)O)O

DOS

IR

Vibrations