Geometry & MOs

Info

ID:

411856

PubChem CID:

135084701

Reduced:

NO2H14C16 (2)

Stoich.:

AB2C14D16 (2)

Weight, g/mol:

1163.173046

ΔHf, kcal/mol:

-17.95

Dipole, Da:

7.0

IP(EA), eV:

 -7.88(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[16-[bis(2,3,4,5,6-pentafluorophenyl)-trimethylsilyloxymethyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-bis(2,3,4,5,6-pentafluorophenyl)methoxy]-trimethylsilane

Drug info:

PubChemData

Smile

COC1=CC=C/C(=C/NC2C3C4=CC=CC=C4C(C2N/C=C/5\C(=O)C(=CC=C5)OC)C6=CC=CC=C36)/C1=O

DOS

IR

Vibrations