Geometry & MOs

Info

ID:	343183
PubChem CID:	127266356
Reduced:	ClF2O3N4H11C12 (1)
Stoich.:	AB2C3D4E11F12 (1)
Weight, g/mol:	345.080409
ΔH_f, kcal/mol:	-135.28
Dipole, Da:	4.66
IP(EA), eV:	-8.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)NCC2=NC(=NO2)C(F)F

DOS

IR

Vibrations