Geometry & MOs

Info

ID:	344064
PubChem CID:	127267240
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-134.6
Dipole, Da:	4.9
IP(EA), eV:	-8.95(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-propylpyrazol-3-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCC(CN1C(=O)NC2=CC(=NN2C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations