Geometry & MOs

Info

ID:	399818
PubChem CID:	135042934
Reduced:	F3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	3.18
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methoxymethoxy)-2,2-dimethyl-8-prop-2-enyl-3H-chromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(C(=C1)C)(C2=CC=CC=C2)C(F)(F)F)C

DOS

IR

Vibrations