Geometry & MOs

Info

ID:	185797
PubChem CID:	77349102
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	304.080097
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	4.19
IP(EA), eV:	-8.66(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)pyrazolidine

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2C(CCN2)C(=O)CCC3=CC4=CC=CC=C4C3)C#N

DOS

IR

Vibrations