Geometry & MOs

Info

ID:	270530
PubChem CID:	103637029
Reduced:	BrNOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	1.62
Dipole, Da:	4.39
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations