Geometry & MOs

Info

ID:	267000
PubChem CID:	103580373
Reduced:	BrClN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	321.02435
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	1.57
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-3-chloropyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

C1CC2(CN(C1)C3=C(C=C(C=N3)Br)Cl)OCCO2

DOS

IR

Vibrations