Geometry & MOs

Info

ID:	346133
PubChem CID:	127270621
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	4.9
IP(EA), eV:	-9.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)NC(C)C2=NC(=NO2)C

DOS

IR

Vibrations