Geometry & MOs

Info

ID:	288153
PubChem CID:	104312039
Reduced:	ClOBr2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	241.01023
ΔH_f, kcal/mol:	8.98
Dipole, Da:	1.87
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-3-methylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CC(=O)C2=C(C=C(C=N2)Br)Br)C

DOS

IR

Vibrations