Geometry & MOs

Info

ID:	125409
PubChem CID:	50923122
Reduced:	F3N4O5H25C27 (1)
Stoich.:	A3B4C5D25E27 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-198.7
Dipole, Da:	6.89
IP(EA), eV:	-9.27(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hexyl-7-methylbenzo[g][1,3]benzodioxole

Drug info:

PubChemData

Smile

CC(CN1CCC[C@@H](C1)C(=O)O)(C2=CC=C(C=C2)C3=NOC(=N3)C4=C(C(=NO4)C5=CC=CC=C5)C(F)(F)F)O

DOS

IR

Vibrations