Geometry & MOs

Info

ID:	73369
PubChem CID:	48417541
Reduced:	ON8H14C16 (1)
Stoich.:	AB8C14D16 (1)
Weight, g/mol:	312.052637
ΔH_f, kcal/mol:	119.5
Dipole, Da:	7.74
IP(EA), eV:	-9.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations