Geometry & MOs

Info

ID:	337204
PubChem CID:	127256769
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	204.147393
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	4.09
IP(EA), eV:	-8.0(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-2-[2-[[(2S)-2-hydroxypropyl]amino]ethyl]pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

C1C([C@@H]([C@@H](N1)CCNC2=CC=C(C=C2)C3=CC=CC=C3)O)O

DOS

IR

Vibrations