Geometry & MOs

Info

ID:	48196
PubChem CID:	10537828
Reduced:	O3N5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	10.54
IP(EA), eV:	-9.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-dimethyl-1-(2-methylpropyl)-4-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](CO[C@H]1N2C=NC3=C2NC(=NC3=O)N)O

DOS

IR

Vibrations