Geometry & MOs

Info

ID:	262810
PubChem CID:	103319455
Reduced:	BrFN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	312.09496
ΔH_f, kcal/mol:	22.5
Dipole, Da:	2.99
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-butyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-4,6-diene

Drug info:

PubChemData

Smile

CCCCC1=C(C2=NCCC(N2N1)C3=NC=C(C=C3)F)Br

DOS

IR

Vibrations