Geometry & MOs

Info

ID:	13297
PubChem CID:	225062
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-151.24
Dipole, Da:	3.38
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=C(C=C1O)OC(C=C2)(C)C)OC

DOS

IR

Vibrations