Geometry & MOs

Info

ID:

398142

PubChem CID:

135031975

Reduced:

ClO4N6C15H19 (1)

Stoich.:

AB4C6D15E19 (1)

Weight, g/mol:

386.105528

ΔHf, kcal/mol:

42.23

Dipole, Da:

8.03

IP(EA), eV:

 -9.14(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,28-dimethyl-5,15-dioxa-10,28-diazanonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1(27),2,4(26),6(25),7,9(24),11(23),12,14(22),16(21),17,19-dodecaene

Drug info:

PubChemData

Smile

C/C(=N\OC)/C(=C(\C1=NCCN1CC2=CN=C(C=C2)Cl)/[N+](=O)[O-])/NOC

DOS

IR

Vibrations