Geometry & MOs

Info

ID:	250706
PubChem CID:	103098460
Reduced:	BrN7C8H12 (1)
Stoich.:	AB7C8D12 (1)
Weight, g/mol:	278.01671
ΔH_f, kcal/mol:	76.55
Dipole, Da:	4.55
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations