Geometry & MOs

Info

ID:	121706
PubChem CID:	50778393
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	4.29
Dipole, Da:	5.96
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4CCC4)C

DOS

IR

Vibrations