Geometry & MOs

Info

ID:	190251
PubChem CID:	77977223
Reduced:	O3C13H19 (2)
Stoich.:	A3B13C19 (2)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-165.33
Dipole, Da:	3.3
IP(EA), eV:	-6.2(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-5-(2-hydroxyacetyl)-2-oxo-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC2C(CCC3(C2CCC3(C(=O)CO)OC(=O)C(C)CO)C)C4(C1=CC(=O)CC4)C

DOS

IR

Vibrations