Geometry & MOs

Info

ID:	287392
PubChem CID:	104239828
Reduced:	Cl2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	249.220498
ΔH_f, kcal/mol:	1.36
Dipole, Da:	4.09
IP(EA), eV:	-9.08(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopentylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCN1C(=C(C(=N1)C2CCCC2)CCl)Cl

DOS

IR

Vibrations