Geometry & MOs

Info

ID:	72988
PubChem CID:	48416767
Reduced:	FO3N6H13C16 (1)
Stoich.:	AB3C6D13E16 (1)
Weight, g/mol:	311.063009
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	6.68
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2C(=C(C=N2)C#N)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations