Geometry & MOs

Info

ID:	361574
PubChem CID:	127303838
Reduced:	ClON4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	16.83
Dipole, Da:	4.94
IP(EA), eV:	-9.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CCCC(C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations