Geometry & MOs

Info

ID:	73404
PubChem CID:	48417625
Reduced:	ON5H15C20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	286.104146
ΔH_f, kcal/mol:	108.34
Dipole, Da:	5.79
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(trifluoromethyl)cyclohexanecarbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations