Geometry & MOs

Info

ID:	253138
PubChem CID:	103116270
Reduced:	FON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	234.122909
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	5.92
IP(EA), eV:	-8.27(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=CC(=C2)F)N

DOS

IR

Vibrations