Geometry & MOs

Info

ID:	335124
PubChem CID:	127253985
Reduced:	NOC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	5.56
IP(EA), eV:	-8.64(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CN3C4=C(C5=CC=CC=C5C3=O)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations