Geometry & MOs

Info

ID:	314631
PubChem CID:	126622526
Reduced:	ON2C37H42 (1)
Stoich.:	AB2C37D42 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	29.28
Dipole, Da:	3.14
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6aR)-6-(3-methyl-4-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

Drug info:

PubChemData

Smile

CC[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)N5CCCC5

DOS

IR

Vibrations