Geometry & MOs

Info

ID:	259153
PubChem CID:	103158394
Reduced:	BrON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	2.41
IP(EA), eV:	-8.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC=CC3=CC(=CN=C32)Br)O

DOS

IR

Vibrations