Geometry & MOs

Info

ID:	9193
PubChem CID:	87112
Reduced:	O3H6C10 (1)
Stoich.:	A3B6C10 (1)
Weight, g/mol:	174.031694
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	6.49
IP(EA), eV:	-9.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxochromene-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=CO2)C=O

DOS

IR

Vibrations