Geometry & MOs

Info

ID:	270608
PubChem CID:	103637305
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	369.00343
ΔH_f, kcal/mol:	12.6
Dipole, Da:	3.63
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(4-methylsulfonylphenyl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CN1CCCC1CNCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations