Geometry & MOs

Info

ID:	254152
PubChem CID:	103123098
Reduced:	F3O3N4C11H15 (1)
Stoich.:	A3B3C4D11E15 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-246.8
Dipole, Da:	5.9
IP(EA), eV:	-9.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N=NN2CCOC(F)(F)F)C(=O)O

DOS

IR

Vibrations