Geometry & MOs

Info

ID:	182605
PubChem CID:	76913383
Reduced:	ClNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	271.125154
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	5.73
IP(EA), eV:	-9.27(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-6-fluorophenyl)-4-(2-methylpropyl)pyrazolidin-3-amine

Drug info:

PubChemData

Smile

CCC1=CC(=O)C2=C(C=CC(C2=N1)Cl)OC

DOS

IR

Vibrations