Geometry & MOs

Info

ID:	253877
PubChem CID:	103121281
Reduced:	FO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	9.24
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-hydroxybut-1-ynyl)pyridin-2-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations