Geometry & MOs

Info

ID:	278836
PubChem CID:	103838856
Reduced:	BrN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-77.5
Dipole, Da:	4.09
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethylamino)-3-[(2,3-dimethylphenyl)methylamino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)Br)O)(CN(C)C)O

DOS

IR

Vibrations