Geometry & MOs

Info

ID:	259031
PubChem CID:	103158035
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-31.24
Dipole, Da:	0.82
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyclopentyl-2-hydroxypropyl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

COC(CC1=NC2=C(O1)C(=CC=C2)Br)CN

DOS

IR

Vibrations