Geometry & MOs

Info

ID:	4666
PubChem CID:	11833
Reduced:	OH4C5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	160.052429
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	5.92
IP(EA), eV:	-9.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC=CC=C12

DOS

IR

Vibrations