Geometry & MOs

Info

ID:	323809
PubChem CID:	126676228
Reduced:	FNO6C27H32 (1)
Stoich.:	ABC6D27E32 (1)
Weight, g/mol:	377.073574
ΔH_f, kcal/mol:	-260.42
Dipole, Da:	5.27
IP(EA), eV:	-9.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitroso-N-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CCO/C=C(/C(=O)C1=CC=CC=C1F)\C(=O)NC2=C(C=C(C(=C2)OC(=O)OC)C(C)C)C(C)(C)C

DOS

IR

Vibrations