Geometry & MOs

Info

ID:	270542
PubChem CID:	103637073
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	349.06774
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	0.49
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNCC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations