Geometry & MOs

Info

ID:	200731
PubChem CID:	79433556
Reduced:	ClNOC18H30 (1)
Stoich.:	ABCD18E30 (1)
Weight, g/mol:	290.087371
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	1.32
IP(EA), eV:	-9.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-2-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CCCCCCCC(CNCCOC)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations