Geometry & MOs

Info

ID:	270622
PubChem CID:	103637346
Reduced:	BrNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	4.69
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2-cyclohexyloxyethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC(C)COCCNCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations