Geometry & MOs

Info

ID:	183772
PubChem CID:	77068971
Reduced:	OCl2S2N4H6C10 (1)
Stoich.:	AB2C2D4E6F10 (1)
Weight, g/mol:	287.14339
ΔH_f, kcal/mol:	40.58
Dipole, Da:	5.1
IP(EA), eV:	-9.0(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoro-6-methoxyphenyl)-4-phenylpyrazolidin-3-amine

Drug info:

PubChemData

Smile

C1CN(C(=S)NC1=O)C2=C(C=C(C3=NSN=C23)Cl)Cl

DOS

IR

Vibrations