Geometry & MOs

Info

ID:	8686
PubChem CID:	80255
Reduced:	O4H10C13 (1)
Stoich.:	A4B10C13 (1)
Weight, g/mol:	230.057909
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	4.28
IP(EA), eV:	-9.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-oxopyran-3-yl) benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations