Geometry & MOs

Info

ID:	385965
PubChem CID:	134980418
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	301.170935
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	3.45
IP(EA), eV:	-8.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-nitrocyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=C(C[C@H](CC1)C(=O)N2[C@@H](CC3=CC=CC=C32)C(=O)OC)C

DOS

IR

Vibrations