Geometry & MOs

Info

ID:	393421
PubChem CID:	135020497
Reduced:	N2F3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	407.87188
ΔH_f, kcal/mol:	-72.0
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-iodo-2-[(3-nitrophenyl)methyl]triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C=CN(N=C2C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations