Geometry & MOs

Info

ID:	391887
PubChem CID:	135010594
Reduced:	N2O5C9H10 (1)
Stoich.:	A2B5C9D10 (1)
Weight, g/mol:	174.06808
ΔH_f, kcal/mol:	-207.19
Dipole, Da:	4.5
IP(EA), eV:	-10.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8bR)-3,3a,4,8b-tetrahydroindeno[1,2-c]furan-1-one

Drug info:

PubChemData

Smile

C1[C@@H]2C(C([C@@H](O2)N3C1=CC(=O)NC3=O)O)O

DOS

IR

Vibrations