Geometry & MOs

Info

ID:	232959
PubChem CID:	87577816
Reduced:	NSO2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	226.99458
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	3.94
IP(EA), eV:	-9.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4,5,6-trimethylpyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCCC/C=C/1\C(=O)NC(=O)S1

DOS

IR

Vibrations