Geometry & MOs

Info

ID:	270624
PubChem CID:	103637359
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	306.98778
ΔH_f, kcal/mol:	-47.18
Dipole, Da:	4.45
IP(EA), eV:	-8.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations