Geometry & MOs

Info

ID:	145291
PubChem CID:	53493721
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	306.125594
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	3.48
IP(EA), eV:	-9.31(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CC[C@@H]([C@@]3(C)C=O)O)C)C=C

DOS

IR

Vibrations