Geometry & MOs

Info

ID:	184333
PubChem CID:	77145908
Reduced:	FO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	5.0
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C=CC(=C2O1)C(=O)C=CC3=C(C=C(C=C3)OC)F)OC)C

DOS

IR

Vibrations