Geometry & MOs

Info

ID:	412760
PubChem CID:	135085677
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	240.071721
ΔH_f, kcal/mol:	65.14
Dipole, Da:	3.19
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-fluoro-2-pentyl-1-benzofuran

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])C2CCCCC2

DOS

IR

Vibrations