Geometry & MOs

Info

ID:	344068
PubChem CID:	127267244
Reduced:	O2F3N4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	5.22
IP(EA), eV:	-10.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(C(F)(F)F)NC(=O)NCC2=NOC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations