Geometry & MOs

Info

ID:	354152
PubChem CID:	127286083
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	6.18
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C)CN2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations