Geometry & MOs

Info

ID:	357879
PubChem CID:	127295379
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-126.33
Dipole, Da:	3.58
IP(EA), eV:	-8.9(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NCC3CC4=CC=CC=C4O3

DOS

IR

Vibrations