Geometry & MOs

Info

ID:	270566
PubChem CID:	103637125
Reduced:	BrON3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	4.26
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2-pyridin-3-ylethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(CNCC1=C(C=CC(=C1)Br)O)N2CCN(CC2)C

DOS

IR

Vibrations