Geometry & MOs

Info

ID:	1884
PubChem CID:	5269
Reduced:	O2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	198.06808
ΔH_f, kcal/mol:	-44.22
Dipole, Da:	4.56
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dihydrobenzo[f]chromen-3-one

Drug info:

PubChemData

Smile

C1CC(=O)OC2=C1C3=CC=CC=C3C=C2

DOS

IR

Vibrations