Geometry & MOs

Info

ID:	79171
PubChem CID:	49747218
Reduced:	ClO3N6H15C17 (1)
Stoich.:	AB3C6D15E17 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	33.36
Dipole, Da:	4.78
IP(EA), eV:	-8.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butoxyphenyl)-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations