Geometry & MOs

Info

ID:	270557
PubChem CID:	103637102
Reduced:	BrClNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	362.02998
ΔH_f, kcal/mol:	-18.6
Dipole, Da:	3.58
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Cl)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations