Geometry & MOs

Info

ID:

386677

PubChem CID:

134982511

Reduced:

OC23H38 (7)

Stoich.:

AB23C38 (7)

Weight, g/mol:

308.162374

ΔHf, kcal/mol:

-592.77

Dipole, Da:

1.96

IP(EA), eV:

 -8.32(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(methoxymethyl)-17-methyl-3,6,9,14-tetraoxatricyclo[9.6.1.012,16]octadeca-1(17),11(18),12(16)-triene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6OCCCCCCCCCCCCCCCC)CC7=CC=CC(=C7OCCCCCCCCCCCCCCCC)CC8=CC=CC(=C8OCCCCCCCCCCCCCCCC)CC1=CC=C2)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

DOS

IR

Vibrations