Geometry & MOs

Info

ID:	346132
PubChem CID:	127270620
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	3.91
IP(EA), eV:	-9.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)N2CCOC3C2CCC3

DOS

IR

Vibrations