Geometry & MOs

Info

ID:	288156
PubChem CID:	104312147
Reduced:	OBr2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	15.38
Dipole, Da:	4.62
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-3-methylidenepentan-1-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CC(C2=C(C=CC=N2)Br)O)C

DOS

IR

Vibrations