Geometry & MOs

Info

ID:	182761
PubChem CID:	76936418
Reduced:	ClSO2N4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	20.01
Dipole, Da:	5.59
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminopyrazolidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(N3C=CSC3=N2)C=CC(=O)O)C)Cl

DOS

IR

Vibrations