Geometry & MOs

Info

ID:	250788
PubChem CID:	103099050
Reduced:	BrO2N6H7C8 (1)
Stoich.:	AB2C6D7E8 (1)
Weight, g/mol:	263.97591
ΔH_f, kcal/mol:	20.29
Dipole, Da:	2.18
IP(EA), eV:	-9.26(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CC(=N1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations