Geometry & MOs

Info

ID:

442244

PubChem CID:

135250790

Reduced:

SN2C12H12 (3)

Stoich.:

AB2C12D12 (3)

Weight, g/mol:

603.270636

ΔHf, kcal/mol:

141.03

Dipole, Da:

0.6

IP(EA), eV:

 -8.97(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[4,6-bis[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-2-yl]-1,3,5-triazin-2-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(CSC(=N1)C2=CC=CC(=C2)C3=NC(=NC(=N3)C4=CC(=CC=C4)C5=NC(CS5)(C)C)C6=CC(=CC=C6)C7=NC(CS7)(C)C)C

DOS

IR

Vibrations