Geometry & MOs

Info

ID:	73184
PubChem CID:	48417164
Reduced:	ON4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	55.6
Dipole, Da:	5.81
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-tert-butylcyclohexanecarbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations