Geometry & MOs

Info

ID:	270532
PubChem CID:	103637032
Reduced:	BrON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	49.27
Dipole, Da:	9.0
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)CCNCC3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations