Geometry & MOs

Info

ID:	259009
PubChem CID:	103157936
Reduced:	BrNOF3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-207.55
Dipole, Da:	3.93
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations