Geometry & MOs

Info

ID:	322502
PubChem CID:	126670292
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	2.78
IP(EA), eV:	-9.73(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@]2(C1CO2)C3=CC=CC=C3

DOS

IR

Vibrations