Geometry & MOs

Info

ID:	317536
PubChem CID:	126643174
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	258.03678
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	1.27
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-tert-butyl-4-methoxypyridin-2-amine

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](N[C@@H]1C2)C(=O)NC3=NC(=CC(=C3)OC)Br

DOS

IR

Vibrations