Geometry & MOs

Info

ID:	182930
PubChem CID:	76957975
Reduced:	NNaO3C23H42 (1)
Stoich.:	ABC3D23E42 (1)
Weight, g/mol:	156.151415
ΔH_f, kcal/mol:	-155.66
Dipole, Da:	110.43
IP(EA), eV:	-5.61(-3.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2,6-dimethyloctanal

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-].[Na+]

DOS

IR

Vibrations