Geometry & MOs

Info

ID:	73360
PubChem CID:	48417518
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	345.024037
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	7.22
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)CC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations