Geometry & MOs

Info

ID:	385603
PubChem CID:	134979529
Reduced:	ClNO5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	-135.63
Dipole, Da:	1.58
IP(EA), eV:	-9.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-3-(methoxymethoxymethyl)-5-(4-methoxyphenyl)-2-methyl-4-nitrocyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H]([C@H](CC1=O)C2=CC=CC=C2Cl)[N+](=O)[O-])COCOC

DOS

IR

Vibrations