Geometry & MOs

Info

ID:	343213
PubChem CID:	127266386
Reduced:	O2N3C6H7 (2)
Stoich.:	A2B3C6D7 (2)
Weight, g/mol:	333.084887
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	2.25
IP(EA), eV:	-9.76(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-5-oxo-1,2,4-triazol-4-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCN1C(=O)N(C=N1)NC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations