Geometry & MOs

Info

ID:	344066
PubChem CID:	127267242
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	44.97
Dipole, Da:	7.25
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)NC(=O)NCC2=NOC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations