Geometry & MOs

Info

ID:	250792
PubChem CID:	103099091
Reduced:	BrN7C9H12 (1)
Stoich.:	AB7C9D12 (1)
Weight, g/mol:	277.99156
ΔH_f, kcal/mol:	100.23
Dipole, Da:	4.65
IP(EA), eV:	-9.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-methylpyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=N1)N2C(=NC(=N2)N)Br)CC

DOS

IR

Vibrations