Geometry & MOs

Info

ID:

327908

PubChem CID:

126691293

Reduced:

ON6C20H22 (1)

Stoich.:

AB6C20D22 (1)

Weight, g/mol:

389.221561

ΔHf, kcal/mol:

78.45

Dipole, Da:

8.36

IP(EA), eV:

 -7.58(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(5Z,9Z)-5,10-dimethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]azocin-2-yl]ethyl]-5-methyl-10-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

Drug info:

PubChemData

Smile

CC1=CC=C(N2C1=NC(=N2)CCC3=C(N4C=CC5=NCCOC5=C4N3)C)C

DOS

IR

Vibrations