Geometry & MOs

Info

ID:	385656
PubChem CID:	134979649
Reduced:	SiO5C18H32 (1)
Stoich.:	AB5C18D32 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-288.53
Dipole, Da:	3.74
IP(EA), eV:	-9.05(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@]12CC(=O)[C@](O1)(C[C@H]2C(=O)OC)C

DOS

IR

Vibrations