Geometry & MOs

Info

ID:	412908
PubChem CID:	135085845
Reduced:	BrFH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	2.11
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-4-(2-oxocyclohexyl)butyl]azaniumylideneazanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(F)Br

DOS

IR

Vibrations