Geometry & MOs

Info

ID:	79156
PubChem CID:	49747146
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	327.088688
ΔH_f, kcal/mol:	113.39
Dipole, Da:	2.5
IP(EA), eV:	-9.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations