Geometry & MOs

Info

ID:	191373
PubChem CID:	78138962
Reduced:	O5H24C25 (1)
Stoich.:	A5B24C25 (1)
Weight, g/mol:	406.178024
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	4.65
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations