Geometry & MOs

Info

ID:	359839
PubChem CID:	127299883
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	17.02
Dipole, Da:	6.43
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations