Geometry & MOs

Info

ID:	73106
PubChem CID:	48417000
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	292.107259
ΔH_f, kcal/mol:	30.68
Dipole, Da:	5.45
IP(EA), eV:	-9.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(5-methylpyrazol-1-yl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)CC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations