Geometry & MOs

Info

ID:	392592
PubChem CID:	135017292
Reduced:	NO5C19H37 (1)
Stoich.:	AB5C19D37 (1)
Weight, g/mol:	447.298473
ΔH_f, kcal/mol:	-287.02
Dipole, Da:	5.54
IP(EA), eV:	-8.87(1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2S,3S,4S)-1-benzyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H](CO)[C@H]2[C@@H]([C@H](CN2)OC(C)(C)C)OC(C)(C)C)C

DOS

IR

Vibrations