Geometry & MOs

Info

ID:	253879
PubChem CID:	103121287
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	272.107339
ΔH_f, kcal/mol:	64.88
Dipole, Da:	4.68
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC=CC=C2C#CCN

DOS

IR

Vibrations