Geometry & MOs

Info

ID:	124826
PubChem CID:	50897561
Reduced:	O5C22H22 (1)
Stoich.:	A5B22C22 (1)
Weight, g/mol:	320.141245
ΔH_f, kcal/mol:	-145.57
Dipole, Da:	4.8
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C=C(C(=C2O1)C(=O)/C=C/C3=CC=CC=C3)O)OCOC)C

DOS

IR

Vibrations