Geometry & MOs

Info

ID:	270609
PubChem CID:	103637307
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	287.05209
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	7.68
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(3-methoxy-2-methylpropyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations