Geometry & MOs

Info

ID:	248430
PubChem CID:	103081572
Reduced:	NOF6C11H11 (1)
Stoich.:	ABC6D11E11 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-331.38
Dipole, Da:	5.11
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(3-methoxycyclopentyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)F)NCCOCC(F)F

DOS

IR

Vibrations