Geometry & MOs

Info

ID:

325933

PubChem CID:

126685646

Reduced:

NH51C66 (1)

Stoich.:

AB51C66 (1)

Weight, g/mol:

490.215747

ΔHf, kcal/mol:

197.31

Dipole, Da:

1.52

IP(EA), eV:

 -8.15(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2,6-bis(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC6=C(C7=CC=CC=C75)C8=C(C6(C)C)C=C9C(=C8)C(C1=C9C=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1)(C)C)C

DOS

IR

Vibrations