Geometry & MOs

Info

ID:	289676
PubChem CID:	104365874
Reduced:	BrClOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	4.75
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylidene]azetidine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC2=CC(=CC3=C2OCC3)Br)CCl

DOS

IR

Vibrations