Geometry & MOs

Info

ID:	79130
PubChem CID:	49747032
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	47.46
Dipole, Da:	1.75
IP(EA), eV:	-8.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations