Geometry & MOs

Info

ID:	366581
PubChem CID:	127320110
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-146.17
Dipole, Da:	5.47
IP(EA), eV:	-9.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NC(=O)C2CC(=O)N(C2C3=CN=CC=C3)C

DOS

IR

Vibrations