Geometry & MOs

Info

ID:	380481
PubChem CID:	134970942
Reduced:	OC23H24 (1)
Stoich.:	AB23C24 (1)
Weight, g/mol:	270.086764
ΔH_f, kcal/mol:	15.96
Dipole, Da:	2.36
IP(EA), eV:	-8.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-methylidene-4-[4-(trifluoromethyl)phenyl]oxan-2-one

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]1[C@@H]([C@H](C2)O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C

DOS

IR

Vibrations