Geometry & MOs

Info

ID:	270529
PubChem CID:	103637028
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	337.0136
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	4.92
IP(EA), eV:	-8.74(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations