Geometry & MOs

Info

ID:	170572
PubChem CID:	75254260
Reduced:	ClOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	396.99928
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	3.04
IP(EA), eV:	-9.26(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-fluorophenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1CC1=CC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations