Geometry & MOs

Info

ID:	17721
PubChem CID:	514940
Reduced:	O7H18C20 (1)
Stoich.:	A7B18C20 (1)
Weight, g/mol:	370.105253
ΔH_f, kcal/mol:	-228.03
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[(3,4,5-trihydroxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(=CC2=CC(=C(C(=C2)O)O)O)C(=O)C(=CC3=CC(=C(C(=C3)O)O)O)C1

DOS

IR

Vibrations