Geometry & MOs

Info

ID:	343179
PubChem CID:	127266352
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	327.07791
ΔH_f, kcal/mol:	34.75
Dipole, Da:	2.35
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)N(C)C2=CN(N=C2)C

DOS

IR

Vibrations