Geometry & MOs

Info

ID:	398947
PubChem CID:	135036510
Reduced:	IO2Si2C26H51 (1)
Stoich.:	AB2C2D26E51 (1)
Weight, g/mol:	318.125594
ΔH_f, kcal/mol:	-223.54
Dipole, Da:	2.53
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-8-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C[C@H](/C=C(/C)\C=C(\C)/I)[C@H](/C=C(\C)/CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations