Geometry & MOs

Info

ID:	391504
PubChem CID:	135006039
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	171.136957
ΔH_f, kcal/mol:	-161.73
Dipole, Da:	3.1
IP(EA), eV:	-9.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-3-(2-deuteriopropan-2-yl)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(CCCC1=O)/C=C\C(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations