Geometry & MOs

Info

ID:	341186
PubChem CID:	127263621
Reduced:	ClN2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	340.01827
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	2.18
IP(EA), eV:	-10.2(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-fluorophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

Drug info:

PubChemData

Smile

C1CCNCC(C1)C#N.Cl

DOS

IR

Vibrations