Geometry & MOs

Info

ID:	79168
PubChem CID:	49747204
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	390.105208
ΔH_f, kcal/mol:	31.23
Dipole, Da:	2.63
IP(EA), eV:	-8.83(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations