Geometry & MOs

Info

ID:	387539
PubChem CID:	134985760
Reduced:	SO2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	4.45
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-prop-2-enyl-4H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=S)C1CCCOC1=O

DOS

IR

Vibrations