Geometry & MOs

Info

ID:	311434
PubChem CID:	126592781
Reduced:	BrFO2N6H18C20 (1)
Stoich.:	ABC2D6E18F20 (1)
Weight, g/mol:	194.055223
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	7.82
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydrotetrazol-1-yl)-5-nitropyridine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)NC3=CN=CC(=C3)C#N

DOS

IR

Vibrations