Geometry & MOs

Info

ID:	392874
PubChem CID:	135018282
Reduced:	NO2C3H5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	298.229666
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	3.75
IP(EA), eV:	-10.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-4-ethyl-1-heptyl-1,3,9,9a-tetrahydrobenzo[f][2]benzofuran

Drug info:

PubChemData

Smile

C1=NC(=N)O[C@H]1[C@@H]([C@@H](CO)O)O

DOS

IR

Vibrations