Geometry & MOs

Info

ID:	443632
PubChem CID:	135259608
Reduced:	ClNO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	322.039672
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	6.98
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)furan-2-yl]chromen-2-one

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC(=O)CCCl)C2=CC(=O)OC3=CC=CC=C32

DOS

IR

Vibrations