Geometry & MOs

Info

ID:	361046
PubChem CID:	127301930
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-142.03
Dipole, Da:	6.93
IP(EA), eV:	-9.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methylazepane-1-carbonyl)phenyl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)CN2CC(=O)NC2=O

DOS

IR

Vibrations