Geometry & MOs

Info

ID:

389194

PubChem CID:

134991512

Reduced:

NC15H29 (1)

Stoich.:

AB15C29 (1)

Weight, g/mol:

1112.421898

ΔHf, kcal/mol:

-48.58

Dipole, Da:

1.98

IP(EA), eV:

-9.1(1.46)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

zinc;13,26,45,58-tetraoxa-69,80-diaza-76,79-diazanidatridecacyclo[31.31.4.46,38.218,21.250,53.12,5.134,37.165,68.07,12.027,32.039,44.059,64.172,75]octaconta-1,3,5,7,9,11,18(78),19,21(77),27,29,31,33(68),34,36,38(72),39,41,43,50,52,59,61,63,65(69),66,70,73,75(80)-nonacosaene

Drug info:

PubChemData

Smile

CC(C)CC(=NC1CCCCC1)CC(C)C

DOS

IR

Vibrations