Geometry & MOs

Info

ID:	184225
PubChem CID:	77130281
Reduced:	BrON2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-22.07
Dipole, Da:	4.56
IP(EA), eV:	-8.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C(CO)N)N

DOS

IR

Vibrations