Geometry & MOs

Info

ID:	73219
PubChem CID:	48417218
Reduced:	ON4H5C8 (2)
Stoich.:	AB4C5D8 (2)
Weight, g/mol:	335.149458
ΔH_f, kcal/mol:	109.94
Dipole, Da:	2.87
IP(EA), eV:	-9.56(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N2C(=C(C=N2)C#N)N)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations