Geometry & MOs

Info

ID:	253869
PubChem CID:	103121220
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	31.76
Dipole, Da:	7.95
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations