Geometry & MOs

Info

ID:	203817
PubChem CID:	79874452
Reduced:	O2F3N3H4C11 (1)
Stoich.:	A2B3C3D4E11 (1)
Weight, g/mol:	299.088161
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	6.46
IP(EA), eV:	-10.51(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-cyano-6-(trifluoromethyl)pyridin-2-yl]amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)N2C=C(C(=O)NC2=O)C#N)F)F

DOS

IR

Vibrations