Geometry & MOs

Info

ID:	393341
PubChem CID:	135020199
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	3.68
IP(EA), eV:	-9.56(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,5S,6R)-2-(azidomethyl)-6-[(1S,2S)-2-hydroxy-1,2-diphenylethoxy]-5-methyl-3-oxocyclohexyl]acetaldehyde

Drug info:

PubChemData

Smile

CC1(CCCC2(C13CC(C2)(C3C=O)C)C)C

DOS

IR

Vibrations