Geometry & MOs

Info

ID:	57073
PubChem CID:	22395300
Reduced:	O4N12C27H34 (1)
Stoich.:	A4B12C27D34 (1)
Weight, g/mol:	208.067091
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	5.22
IP(EA), eV:	-8.34(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;acetonitrile;2,2,2-trifluoroacetic acid;hydroxide;hydrate

Drug info:

PubChemData

Smile

CN1C=CC(=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCN=C(N)N)C)C)C)N

DOS

IR

Vibrations