Geometry & MOs

Info

ID:	357896
PubChem CID:	127295396
Reduced:	F2O2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-179.06
Dipole, Da:	5.42
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)F)F)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations