Geometry & MOs

Info

ID:	354149
PubChem CID:	127286080
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	2.99
IP(EA), eV:	-8.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2C=C1)N3CCN(CC3)C(=O)CN4C(=O)CCC4=O

DOS

IR

Vibrations