Geometry & MOs

Info

ID:	228662
PubChem CID:	87565499
Reduced:	O9C10H18 (1)
Stoich.:	A9B10C18 (1)
Weight, g/mol:	411.07054
ΔH_f, kcal/mol:	-418.91
Dipole, Da:	2.99
IP(EA), eV:	-10.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(difluoromethoxy)phenyl]-3-[5-(trifluoromethyl)pyridin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C(=O)CC(CC(=O)O)O)O)O)O)O)O

DOS

IR

Vibrations