Geometry & MOs

Info

ID:	370803
PubChem CID:	127340618
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	6.21
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCN(CC1)C2CCCC2)OC3=CC=CC=C3C#N

DOS

IR

Vibrations