Geometry & MOs

Info

ID:	374232
PubChem CID:	131325671
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	5.06
IP(EA), eV:	-8.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-6-oxo-1H-pyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)O)C2CCCS(=O)C2

DOS

IR

Vibrations