Geometry & MOs

Info

ID:	271048
PubChem CID:	103641241
Reduced:	N4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	336.01095
ΔH_f, kcal/mol:	35.83
Dipole, Da:	2.74
IP(EA), eV:	-8.72(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCC1CNCC2=NN(C=C2)C

DOS

IR

Vibrations