Geometry & MOs

Info

ID:	294875
PubChem CID:	117501785
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	3.26
IP(EA), eV:	-8.57(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNO)Br)OC2CCCC2

DOS

IR

Vibrations