Geometry & MOs

Info

ID:	183984
PubChem CID:	77099165
Reduced:	Cl2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	287.095603
ΔH_f, kcal/mol:	10.18
Dipole, Da:	3.78
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations