Geometry & MOs

Info

ID:	162964
PubChem CID:	57581059
Reduced:	N2O4F7C29H31 (1)
Stoich.:	A2B4C7D29E31 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-508.87
Dipole, Da:	3.24
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-2H-pyran-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H]2[C@@H]3CN(C[C@H]3CO[C@@H]2O[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)N5CCOCC5

DOS

IR

Vibrations