Geometry & MOs

Info

ID:	258955
PubChem CID:	103157543
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	7.03
Dipole, Da:	2.81
IP(EA), eV:	-9.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyanilino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)CC2=CC=CC=N2)CN

DOS

IR

Vibrations