Geometry & MOs

Info

ID:	429848
PubChem CID:	135169901
Reduced:	ClOF3N9H13C17 (1)
Stoich.:	ABC3D9E13F17 (1)
Weight, g/mol:	309.128883
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	8.92
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(1,1-difluoroethyl)-1-(1-methyl-6-methylidenepyridin-2-yl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)/N=C(/C(=C\N)/C(=O)NC2=CC(=C(N=C2)N3N=CC=N3)Cl)\C(F)(F)F)N

DOS

IR

Vibrations