Geometry & MOs

Info

ID:	259074
PubChem CID:	103158156
Reduced:	FON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	5.73
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations