Geometry & MOs

Info

ID:	258924
PubChem CID:	103157435
Reduced:	BrOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	4.41
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(2-propan-2-yloxypyridin-3-yl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC1=NC2=C(S1)C=CC(=C2)Br)CN

DOS

IR

Vibrations