Geometry & MOs

Info

ID:	180578
PubChem CID:	76656446
Reduced:	F3N4O6C24H26 (1)
Stoich.:	A3B4C6D24E26 (1)
Weight, g/mol:	234.110338
ΔH_f, kcal/mol:	-363.08
Dipole, Da:	28.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781373
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

C[NH+]1CCCC1C(=O)N2CC3=C(C2)N(C(=O)C(=C3O)C(=O)NCC(=O)O)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations