Geometry & MOs

Info

ID:	304570
PubChem CID:	124756316
Reduced:	ClN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	60.67
Dipole, Da:	2.8
IP(EA), eV:	-9.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)N(C)CCN2C=NC=N2

DOS

IR

Vibrations