Geometry & MOs

Info

ID:	142564
PubChem CID:	53058407
Reduced:	FO2N6H19C25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	510.201553
ΔH_f, kcal/mol:	51.18
Dipole, Da:	10.97
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3C=C(N=C3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations