Geometry & MOs

Info

ID:	370767
PubChem CID:	127340547
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-21.63
Dipole, Da:	3.62
IP(EA), eV:	-8.92(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3(CCC3)C#N

DOS

IR

Vibrations