Geometry & MOs

Info

ID:

426221

PubChem CID:

135142706

Reduced:

ON3C12H12 (2)

Stoich.:

AB3C12D12 (2)

Weight, g/mol:

669.383147

ΔHf, kcal/mol:

21.65

Dipole, Da:

2.16

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-[3-[4,6-di(cyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,5-dien-1-yl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),3,10,12,17-pentaene

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C(=NC3=CN=C4C(=C32)C=CN4)CNC(=O)OC5=CC=CC=C5

DOS

IR

Vibrations