Geometry & MOs

Info

ID:	253870
PubChem CID:	103121223
Reduced:	FO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	7.2
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations