Geometry & MOs

Info

ID:	399866
PubChem CID:	135043328
Reduced:	OSC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-52.03
Dipole, Da:	1.16
IP(EA), eV:	-8.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-methyl-4-phenyl-2H-chromen-6-one

Drug info:

PubChemData

Smile

CCO[C@H]1CCCC[C@@H]1SC2=CC=C(C=C2)C

DOS

IR

Vibrations