Geometry & MOs

Info

ID:	161677
PubChem CID:	57392306
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	273.230394
ΔH_f, kcal/mol:	14.07
Dipole, Da:	5.61
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S)-2-(decoxymethyl)pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(S1)C(=O)/C=C/C2=CC=CC=C2)C

DOS

IR

Vibrations