Geometry & MOs

Info

ID:	183985
PubChem CID:	77099166
Reduced:	Cl2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	297.08406
ΔH_f, kcal/mol:	5.54
Dipole, Da:	3.69
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-bromophenyl)pyrazolidin-3-yl]butan-2-amine

Drug info:

PubChemData

Smile

CCC(CC1CC(NN1)C2=C(C=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations