Geometry & MOs

Info

ID:	267301
PubChem CID:	103581700
Reduced:	BrClN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	305.0182
ΔH_f, kcal/mol:	62.13
Dipole, Da:	4.79
IP(EA), eV:	-9.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-3-chlorophenyl)methylamino]-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC2=CC=NN2)Cl)Br

DOS

IR

Vibrations