Geometry & MOs

Info

ID:	250795
PubChem CID:	103099120
Reduced:	BrN6C7H7 (1)
Stoich.:	AB6C7D7 (1)
Weight, g/mol:	280.97124
ΔH_f, kcal/mol:	89.56
Dipole, Da:	1.56
IP(EA), eV:	-9.0(-1.28)
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-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=NC=CN=C1N2C(=NC(=N2)N)Br

DOS

IR

Vibrations