Geometry & MOs

Info

ID:	216807
PubChem CID:	85086806
Reduced:	F3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	304.131074
ΔH_f, kcal/mol:	-274.67
Dipole, Da:	4.07
IP(EA), eV:	-10.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-(2,3,4-trimethoxy-3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C(C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

DOS

IR

Vibrations