Geometry & MOs

Info

ID:	142562
PubChem CID:	53058097
Reduced:	ON3F4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	450.180424
ΔH_f, kcal/mol:	-174.32
Dipole, Da:	5.15
IP(EA), eV:	-8.43(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CN3C4=C(N2)C=C(C=C4)F)C(=O)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations