Geometry & MOs

Info

ID:	441465
PubChem CID:	135235063
Reduced:	F2C5H6 (3)
Stoich.:	A2B5C6 (3)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-338.18
Dipole, Da:	4.18
IP(EA), eV:	-10.38(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(3,4,5,6-tetramethyloxan-2-yl)oxychromen-2-one

Drug info:

PubChemData

Smile

CCC(CC)CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations