Geometry & MOs

Info

ID:	416450
PubChem CID:	135089463
Reduced:	NO3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-160.47
Dipole, Da:	3.68
IP(EA), eV:	-9.2(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(2-methyl-5-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3CCOCC3

DOS

IR

Vibrations