Geometry & MOs

Info

ID:	264345
PubChem CID:	103456115
Reduced:	BrN2O3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-100.41
Dipole, Da:	2.32
IP(EA), eV:	-9.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-3-hydroxy-4,4-dimethylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)C1=C(C=NN1CCOC)Br)O

DOS

IR

Vibrations