Geometry & MOs

Info

ID:	122943
PubChem CID:	50828020
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	6.48
IP(EA), eV:	-8.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepan-1-yl)phenyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)CCCNC(=O)C3=NC(=NO3)C4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations