Geometry & MOs

Info

ID:	73287
PubChem CID:	48417370
Reduced:	O2N6H12C19 (1)
Stoich.:	A2B6C12D19 (1)
Weight, g/mol:	306.122909
ΔH_f, kcal/mol:	99.24
Dipole, Da:	6.25
IP(EA), eV:	-9.47(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations