Geometry & MOs

Info

ID:	222426
PubChem CID:	85300705
Reduced:	O4C19H34 (1)
Stoich.:	A4B19C34 (1)
Weight, g/mol:	326.034586
ΔH_f, kcal/mol:	-235.22
Dipole, Da:	7.08
IP(EA), eV:	-9.8(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(4-chlorophenyl)prop-2-enoyl]-7-hydroxychromen-2-one

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCCCCCCCCC2CCC(=O)O2

DOS

IR

Vibrations