Geometry & MOs

Info

ID:	141356
PubChem CID:	52865749
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	7.81
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)NC(=O)NCCCOC

DOS

IR

Vibrations