Geometry & MOs

Info

ID:	182906
PubChem CID:	76953554
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	267.150225
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	2.64
IP(EA), eV:	-8.49(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)pyrazolidin-3-amine

Drug info:

PubChemData

Smile

CCC(C)(C)C1C(C(NN1)N)C2=CC(=C(C=C2)C)OC

DOS

IR

Vibrations