Geometry & MOs

Info

ID:	408117
PubChem CID:	135080873
Reduced:	ZnN8H48C96 (1)
Stoich.:	AB8C48D96 (1)
Weight, g/mol:	1315.419198
ΔH_f, kcal/mol:	1112.62
Dipole, Da:	1.66
IP(EA), eV:	-7.82(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)C6=C3C7=NC8=NC(=NC9=C1C2=C(C3=CC=CC=C3C=C2)C2=C(C1=C([N-]9)N=C1C3=C(C4=C(C5=CC=CC=C5C=C4)C4=C3C=CC3=CC=CC=C34)C(=N1)N=C6[N-]7)C=CC1=CC=CC=C12)C1=C8C2=C(C3=CC=CC=C3C=C2)C2=C1C=CC1=CC=CC=C12.[Zn+2]

DOS

IR

Vibrations