Geometry & MOs

Info

ID:	14987
PubChem CID:	426140
Reduced:	NC20H29 (2)
Stoich.:	AB20C29 (2)
Weight, g/mol:	566.46
ΔH_f, kcal/mol:	10.7
Dipole, Da:	5.11
IP(EA), eV:	-7.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-di(cyclododecyl)-2,5-diphenylpyrazine

Drug info:

PubChemData

Smile

C1CCCCCC(CCCCC1)C2(C=NC(=CN2C3CCCCCCCCCCC3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations