Geometry & MOs

Info

ID:	124789
PubChem CID:	50896037
Reduced:	ClOSN6H7C10 (1)
Stoich.:	ABCD6E7F10 (1)
Weight, g/mol:	350.13972
ΔH_f, kcal/mol:	104.5
Dipole, Da:	4.57
IP(EA), eV:	-9.94(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NN3C(=NN=C3S2)C(=O)NN

DOS

IR

Vibrations