Geometry & MOs

Info

ID:	164241
PubChem CID:	74382527
Reduced:	O7C28H32 (1)
Stoich.:	A7B28C32 (1)
Weight, g/mol:	478.199153
ΔH_f, kcal/mol:	-221.29
Dipole, Da:	1.88
IP(EA), eV:	-9.34(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-(4-hydroxybut-2-enyl)-2-methoxy-6-(6-phenylmethoxyhexanoyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=O)C2=C(C1=O)C=C(C(=C2O)C(CCCCCOCC3=CC=CC=C3)O)CC=CCO

DOS

IR

Vibrations