Geometry & MOs

Info

ID:	31136
PubChem CID:	854727
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	308.104859
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	5.26
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-7-phenacyloxychromen-2-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C3=C(C=C12)C4=CC=CC=C4C(=O)O3)C)C

DOS

IR

Vibrations