Geometry & MOs

Info

ID:	13946
PubChem CID:	400655
Reduced:	O4H18C23 (1)
Stoich.:	A4B18C23 (1)
Weight, g/mol:	358.120509
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	5.23
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8,10-trihydroxy-10-(1-phenylprop-2-enyl)anthracen-9-one

Drug info:

PubChemData

Smile

C=CC(C1=CC=CC=C1)C2(C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O)O

DOS

IR

Vibrations