Geometry & MOs

Info

ID:	181761
PubChem CID:	76790016
Reduced:	NOSC21H23 (1)
Stoich.:	ABCD21E23 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	39.59
Dipole, Da:	4.49
IP(EA), eV:	-8.51(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(4-chlorophenyl)-2-(5-oxopyrrolidin-2-yl)ethyl]-3-pyrazolidin-4-ylpiperidin-2-one

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2(CC2C3CCCC3)C4=NC(=O)C(=C)C=C4

DOS

IR

Vibrations