Geometry & MOs

Info

ID:	318347
PubChem CID:	126650600
Reduced:	NO3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	421.091035
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	4.61
IP(EA), eV:	-8.88(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[[1H-1,2,4-triazol-5-yl-[4-(trifluoromethoxy)phenyl]methyl]amino]benzoyl azide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC2=CC(=CC=C2)OCC3=CC=CC=C3)C(C)(C)C(=O)O

DOS

IR

Vibrations