Geometry & MOs

Info

ID:	385604
PubChem CID:	134979530
Reduced:	NO6C17H23 (1)
Stoich.:	AB6C17D23 (1)
Weight, g/mol:	352.127051
ΔH_f, kcal/mol:	-167.83
Dipole, Da:	1.47
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-3-(methoxymethoxymethyl)-2-methyl-4-nitro-5-(4-nitrophenyl)cyclohexan-1-one

Drug info:

PubChemData

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C[C@@H]1[C@@H]([C@@H]([C@H](CC1=O)C2=CC=C(C=C2)OC)[N+](=O)[O-])COCOC

DOS

IR

Vibrations