Geometry & MOs

Info

ID:	343180
PubChem CID:	127266353
Reduced:	F2O4N5H11C12 (1)
Stoich.:	A2B4C5D11E12 (1)
Weight, g/mol:	283.088081
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	5.1
IP(EA), eV:	-10.05(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCC2=NC(=NO2)C(F)F

DOS

IR

Vibrations