Geometry & MOs

Info

ID:	259006
PubChem CID:	103157925
Reduced:	N3O3C10H19 (1)
Stoich.:	A3B3C10D19 (1)
Weight, g/mol:	315.06341
ΔH_f, kcal/mol:	-76.16
Dipole, Da:	1.64
IP(EA), eV:	-9.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-fluoroanilino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CC(CN)OC)OC

DOS

IR

Vibrations