Geometry & MOs

Info

ID:	266580
PubChem CID:	103573088
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	8.49
IP(EA), eV:	-9.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(1-propylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(C(=O)N2CCCC2)Cl

DOS

IR

Vibrations