Geometry & MOs

Info

ID:	162266
PubChem CID:	57394112
Reduced:	FO4H27C29 (1)
Stoich.:	AB4C27D29 (1)
Weight, g/mol:	260.08373
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	3.12
IP(EA), eV:	-8.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(3-phenylprop-2-ynylidene)chromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)/C=C/C(=O)/C=C/C2=C(C=C(C=C2OC)OC)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations