Geometry & MOs

Info

ID:	288478
PubChem CID:	104317134
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	217.06697
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	3.89
IP(EA), eV:	-9.09(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-fluoroanilino)butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NCCC(C)O)C)Br

DOS

IR

Vibrations