Geometry & MOs

Info

ID:

396631

PubChem CID:

135028950

Reduced:

INOF3H5C7 (1)

Stoich.:

ABCD3E5F7 (1)

Weight, g/mol:

672.193674

ΔHf, kcal/mol:

-103.29

Dipole, Da:

4.95

IP(EA), eV:

-9.97(-1.6)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

19,21,39,41-tetramethoxydodecacyclo[29.12.0.02,15.03,8.04,42.09,14.013,18.016,29.017,22.023,28.032,37.038,43]tritetraconta-1(31),2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27,32,34,36,38(43),39,41-henicosaen-30-one

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C(F)(F)F)I

DOS

IR

Vibrations