Geometry & MOs

Info

ID:	22730
PubChem CID:	598418
Reduced:	O2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	198.06808
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	5.47
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydrobenzo[h]chromen-2-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3=C1C=CC(=O)O3

DOS

IR

Vibrations