Geometry & MOs

Info

ID:	258795
PubChem CID:	103157043
Reduced:	NOF2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-143.35
Dipole, Da:	3.44
IP(EA), eV:	-8.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=CC(=C2)F)F)O

DOS

IR

Vibrations