Geometry & MOs

Info

ID:	253876
PubChem CID:	103121276
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	10.28
Dipole, Da:	6.02
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=CC(=C2)Cl)C#CCO

DOS

IR

Vibrations