Geometry & MOs

Info

ID:	412851
PubChem CID:	135085780
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.006119
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	1.16
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dichloropyridin-3-yl)but-3-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C=C)OCC(=C)Br

DOS

IR

Vibrations