Geometry & MOs

Info

ID:	365987
PubChem CID:	127319277
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	82.82
Dipole, Da:	4.58
IP(EA), eV:	-9.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CC1CC2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations