Geometry & MOs

Info

ID:	145287
PubChem CID:	53493204
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	4.9
IP(EA), eV:	-9.42(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(pyridin-2-ylmethyl)-1,2,3a,4-tetrahydroindeno[2,1-b]furan-8b-ol

Drug info:

PubChemData

Smile

CCCCC1C2C(C(CO2)C(=O)C3=CC=CC=N3)(C4=CC=CC=C14)O

DOS

IR

Vibrations