Geometry & MOs

Info

ID:	387412
PubChem CID:	134985286
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	247.141973
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	4.62
IP(EA), eV:	-10.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2R)-1,1-dimethoxy-3-nitropropan-2-yl]-4-methylpentanal

Drug info:

PubChemData

Smile

CCCCCCC(CC(C)C)C[N+](=O)[O-]

DOS

IR

Vibrations