Geometry & MOs

Info

ID:	343182
PubChem CID:	127266355
Reduced:	O3F4N4H10C12 (1)
Stoich.:	A3B4C4D10E12 (1)
Weight, g/mol:	332.048774
ΔH_f, kcal/mol:	-214.81
Dipole, Da:	4.11
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-3-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)NCC2=NC(=NO2)C(F)F)F)F

DOS

IR

Vibrations