Geometry & MOs

Info

ID:	172138
PubChem CID:	75471154
Reduced:	OS2F3N3H12C17 (1)
Stoich.:	AB2C3D3E12F17 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	5.98
IP(EA), eV:	-8.26(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC=N3)C(F)(F)F

DOS

IR

Vibrations