Geometry & MOs

Info

ID:	22445
PubChem CID:	597205
Reduced:	O5H14C17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	298.084124
ΔH_f, kcal/mol:	-164.13
Dipole, Da:	1.48
IP(EA), eV:	-9.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)C=O)O

DOS

IR

Vibrations