Geometry & MOs

Info

ID:	10012
PubChem CID:	96225
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	7.33
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-dimethyl-7-prop-2-enoxychromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC=C

DOS

IR

Vibrations