Geometry & MOs

Info

ID:	191404
PubChem CID:	78143082
Reduced:	NO4C29H35 (1)
Stoich.:	AB4C29D35 (1)
Weight, g/mol:	231.071842
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	1.56
IP(EA), eV:	-9.02(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxyethyl)-5-(trifluoromethyl)pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C=CC(=O)OCC)N(CC(=C)C1=CC=CC=C1)CC(=C)C2=CC=CC=C2

DOS

IR

Vibrations