Geometry & MOs

Info

ID:	283743
PubChem CID:	104003268
Reduced:	N2F3O3C11H17 (1)
Stoich.:	A2B3C3D11E17 (1)
Weight, g/mol:	405.89262
ΔH_f, kcal/mol:	-287.87
Dipole, Da:	0.95
IP(EA), eV:	-10.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-iodo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CCC1(CC1)CNC(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations