Geometry & MOs

Info

ID:	392471
PubChem CID:	135016858
Reduced:	O14H68C81 (1)
Stoich.:	A14B68C81 (1)
Weight, g/mol:	424.167459
ΔH_f, kcal/mol:	-255.76
Dipole, Da:	5.19
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aZ,8aZ,12aZ,16aZ)-1,4,5,16-tetramethoxytetraphenylene

Drug info:

Smile

CC1[C@@H](C(C([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OCC7=CC=CC=C7)OC(=O)/C=C/C8=CC=C(C=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OC(=O)/C=C/C1=CC=C(C=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations